ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene

C27H56 — CID 143901355

IUPACethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(C)CCC(C)CC.CC.CC.CCCCC(C)CC
InChIInChI=1S/C15H26.C8H18.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-4-6-7-8(3)5-2;2*1-2/h8,10,13,15H,2,5,7,9,11H2,1,3-4,6H3;8H,4-7H2,1-3H3;2*1-2H3/b10-8-;;;
InChIKeyILQDZRNFTJJQLF-MWHRLNGWSA-N
MW380.75 g/mol
LogP10.41
Rot. Bonds11

About ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene

ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene (PubChem CID 143901355) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene.

Molecular Properties

Compound Nameethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
PubChem CID143901355
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Nameethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(C)CCC(C)CC.CC.CC.CCCCC(C)CC
InChIInChI=1S/C15H26.C8H18.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-4-6-7-8(3)5-2;2*1-2/h8,10,13,15H,2,5,7,9,11H2,1,3-4,6H3;8H,4-7H2,1-3H3;2*1-2H3/b10-8-;;;
InChIKeyILQDZRNFTJJQLF-MWHRLNGWSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene with MolForge

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Related Compounds

(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
ethane;3-methylheptane;propan-2-imine
CID 142132474
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
CID 142297576
3-methylheptane;octane
CID 144782281
(3R,6S)-3,6-dimethyldecane
CID 170848353
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
CID 162845689
ethane;3-methylheptane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217493
3-methylheptane;nickel
CID 158967838
[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
CID 145464220

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene?
The IUPAC name of ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene (CID 143901355) is ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene.
What is the SMILES notation for ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene?
The canonical SMILES for ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene is C=C(C)/C=C\C(=C)C(C)CCC(C)CC.CC.CC.CCCCC(C)CC.
What is the InChIKey of ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene?
The InChIKey is ILQDZRNFTJJQLF-MWHRLNGWSA-N. The full InChI is InChI=1S/C15H26.C8H18.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-4-6-7-8(3)5-2;2*1-2/h8,10,13,15H,2,5,7,9,11H2,1,3-4,6H3;8H,4-7H2,1-3H3;2*1-2H3/b10-8-;;;.
What are the key properties of ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene?
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene has a molecular weight of 380.75 g/mol, XLogP of 10.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene is sourced from PubChem (CID 143901355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).