bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)

C132H270O7 — CID 160978636

IUPACbis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)
SMILESC.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)O.COC(C)CCCCCCCC(C)(C)C.COC(C)CCCCCCCC(C)(C)O
InChIInChI=1S/C14H30O.2C14H28.C13H28O2.2C13H26O.2C13H26.2C12H24O.CH4/c1-13(15-5)11-9-7-6-8-10-12-14(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-12(15-4)10-8-6-5-7-9-11-13(2,3)14;2*1-4-5-6-7-8-9-10-11-12-13(2,3)14;2*1-5-6-7-8-9-10-11-12-13(2,3)4;2*1-4-5-6-7-8-9-10-11-12(2,3)13;/h13H,6-12H2,1-5H3;2*5H,1,6-13H2,2-4H3;12,14H,5-11H2,1-4H3;2*4,14H,1,5-12H2,2-3H3;2*5H,1,6-12H2,2-4H3;2*4,13H,1,5-11H2,2-3H3;1H4
InChIKeySZFDWTZRAFMTME-UHFFFAOYSA-N
MW1969.60 g/mol
LogP45.01
Rot. Bonds81

About bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)

bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) (PubChem CID 160978636) has the molecular formula C132H270O7 and a molecular weight of 1969.60 g/mol. Its IUPAC name is bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol).

Molecular Properties

Compound Namebis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)
PubChem CID160978636
Molecular FormulaC132H270O7
Molecular Weight1969.60 g/mol
Exact Mass1968.08
IUPAC Namebis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)
SMILESC.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)O.COC(C)CCCCCCCC(C)(C)C.COC(C)CCCCCCCC(C)(C)O
InChIInChI=1S/C14H30O.2C14H28.C13H28O2.2C13H26O.2C13H26.2C12H24O.CH4/c1-13(15-5)11-9-7-6-8-10-12-14(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-12(15-4)10-8-6-5-7-9-11-13(2,3)14;2*1-4-5-6-7-8-9-10-11-12-13(2,3)14;2*1-5-6-7-8-9-10-11-12-13(2,3)4;2*1-4-5-6-7-8-9-10-11-12(2,3)13;/h13H,6-12H2,1-5H3;2*5H,1,6-13H2,2-4H3;12,14H,5-11H2,1-4H3;2*4,14H,1,5-12H2,2-3H3;2*5H,1,6-12H2,2-4H3;2*4,13H,1,5-11H2,2-3H3;1H4
InChIKeySZFDWTZRAFMTME-UHFFFAOYSA-N
XLogP45.01
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds81
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001969.60
LogP ≤ 545.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) with MolForge

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Related Compounds

2-methoxydodec-11-en-5-amine
CID 107012126
14,14-dimethylpentadec-1-en-6-yl 2-methylpropanoate
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CID 154162071
3-methoxy-2,2-dimethylundec-10-en-4-ol
CID 107008716
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
15,16,16-trimethylheptadec-1-ene
CID 174505406
1,1-dimethoxynon-8-en-2-amine
CID 107009425
dec-9-en-2-yloxy(trimethyl)silane
CID 11096389
14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
CID 20579544
12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
CID 20579541
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)?
The IUPAC name of bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) (CID 160978636) is bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol).
What is the SMILES notation for bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)?
The canonical SMILES for bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) is C.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)C.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)C.C=CCCCCCCCCC(C)(C)O.C=CCCCCCCCCC(C)(C)O.COC(C)CCCCCCCC(C)(C)C.COC(C)CCCCCCCC(C)(C)O.
What is the InChIKey of bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)?
The InChIKey is SZFDWTZRAFMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.2C14H28.C13H28O2.2C13H26O.2C13H26.2C12H24O.CH4/c1-13(15-5)11-9-7-6-8-10-12-14(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-12(15-4)10-8-6-5-7-9-11-13(2,3)14;2*1-4-5-6-7-8-9-10-11-12-13(2,3)14;2*1-5-6-7-8-9-10-11-12-13(2,3)4;2*1-4-5-6-7-8-9-10-11-12(2,3)13;/h13H,6-12H2,1-5H3;2*5H,1,6-13H2,2-4H3;12,14H,5-11H2,1-4H3;2*4,14H,1,5-12H2,2-3H3;2*5H,1,6-12H2,2-4H3;2*4,13H,1,5-11H2,2-3H3;1H4.
What are the key properties of bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)?
bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) has a molecular weight of 1969.60 g/mol, XLogP of 45.01, 81 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol) is sourced from PubChem (CID 160978636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).