ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene

C17H34 — CID 176571017

IUPACethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
SMILESCC.CCCC/C=C(\C=C(C)C)CCCCC
InChIInChI=1S/C15H28.C2H6/c1-5-7-9-11-15(13-14(3)4)12-10-8-6-2;1-2/h11,13H,5-10,12H2,1-4H3;1-2H3/b15-11-;
InChIKeyVMOCYJQKQBFMPV-PNCOJPCNSA-N
MW238.46 g/mol
LogP6.68
Rot. Bonds8

About ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene

ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene (PubChem CID 176571017) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene.

Molecular Properties

Compound Nameethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
PubChem CID176571017
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
SMILESCC.CCCC/C=C(\C=C(C)C)CCCCC
InChIInChI=1S/C15H28.C2H6/c1-5-7-9-11-15(13-14(3)4)12-10-8-6-2;1-2/h11,13H,5-10,12H2,1-4H3;1-2H3/b15-11-;
InChIKeyVMOCYJQKQBFMPV-PNCOJPCNSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-pentylideneoctanal
CID 57053473
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
2-hexylidenenonanal
CID 54074680
2-octadecyldocos-2-enal
CID 54072385
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
7-methylhenicos-7-ene
CID 173033031
6-methyldocos-6-ene
CID 629460
(Z)-6-ethylundec-5-ene
CID 102395453
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene?
The IUPAC name of ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene (CID 176571017) is ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene.
What is the SMILES notation for ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene?
The canonical SMILES for ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene is CC.CCCC/C=C(\C=C(C)C)CCCCC.
What is the InChIKey of ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene?
The InChIKey is VMOCYJQKQBFMPV-PNCOJPCNSA-N. The full InChI is InChI=1S/C15H28.C2H6/c1-5-7-9-11-15(13-14(3)4)12-10-8-6-2;1-2/h11,13H,5-10,12H2,1-4H3;1-2H3/b15-11-;.
What are the key properties of ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene?
ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene has a molecular weight of 238.46 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene is sourced from PubChem (CID 176571017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).