ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene

C32H74 — CID 143703494

IUPACethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
SMILESC=C(C)CCCCCCCCC.CC.CC.CC(C)C.CCC(C)CC.CCC(C)CC
InChIInChI=1S/C12H24.2C6H14.C4H10.2C2H6/c1-4-5-6-7-8-9-10-11-12(2)3;2*1-4-6(3)5-2;1-4(2)3;2*1-2/h2,4-11H2,1,3H3;2*6H,4-5H2,1-3H3;4H,1-3H3;2*1-2H3
InChIKeyYVRYBRZDZFYZCV-UHFFFAOYSA-N
MW458.94 g/mol
LogP13.30
Rot. Bonds12

About ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene

ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene (PubChem CID 143703494) has the molecular formula C32H74 and a molecular weight of 458.94 g/mol. Its IUPAC name is ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene.

Molecular Properties

Compound Nameethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
PubChem CID143703494
Molecular FormulaC32H74
Molecular Weight458.94 g/mol
Exact Mass458.58
IUPAC Nameethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
SMILESC=C(C)CCCCCCCCC.CC.CC.CC(C)C.CCC(C)CC.CCC(C)CC
InChIInChI=1S/C12H24.2C6H14.C4H10.2C2H6/c1-4-5-6-7-8-9-10-11-12(2)3;2*1-4-6(3)5-2;1-4(2)3;2*1-2/h2,4-11H2,1,3H3;2*6H,4-5H2,1-3H3;4H,1-3H3;2*1-2H3
InChIKeyYVRYBRZDZFYZCV-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2,11-dimethylnonadec-1-ene
CID 123484198
2,10,11-trimethylicos-1-ene
CID 123857380
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
2,7-dimethylnon-1-ene
CID 123682074
2-methylhex-1-ene
CID 158402499
2,14-dimethylpentadeca-1,14-diene
CID 123962057
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311

Frequently Asked Questions

What is the IUPAC name of ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene?
The IUPAC name of ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene (CID 143703494) is ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene.
What is the SMILES notation for ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene?
The canonical SMILES for ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene is C=C(C)CCCCCCCCC.CC.CC.CC(C)C.CCC(C)CC.CCC(C)CC.
What is the InChIKey of ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene?
The InChIKey is YVRYBRZDZFYZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.2C6H14.C4H10.2C2H6/c1-4-5-6-7-8-9-10-11-12(2)3;2*1-4-6(3)5-2;1-4(2)3;2*1-2/h2,4-11H2,1,3H3;2*6H,4-5H2,1-3H3;4H,1-3H3;2*1-2H3.
What are the key properties of ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene?
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene has a molecular weight of 458.94 g/mol, XLogP of 13.30, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene is sourced from PubChem (CID 143703494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).