(Z)-3-methylheptadec-6-ene

C18H36 — CID 159647190

IUPAC(Z)-3-methylheptadec-6-ene
SMILESCCCCCCCCCC/C=C\CCC(C)CC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14-
InChIKeyKLXVTBNBGZJRTQ-PFONDFGASA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds13

About (Z)-3-methylheptadec-6-ene

(Z)-3-methylheptadec-6-ene (PubChem CID 159647190) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-3-methylheptadec-6-ene.

Molecular Properties

Compound Name(Z)-3-methylheptadec-6-ene
PubChem CID159647190
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-3-methylheptadec-6-ene
SMILESCCCCCCCCCC/C=C\CCC(C)CC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14-
InChIKeyKLXVTBNBGZJRTQ-PFONDFGASA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.90
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

5-methylheptadec-8-ene
CID 162470798
(E,5R)-2,5-dimethylheptadec-8-ene
CID 11097499
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
11-methyltrideca-5,7-diene
CID 91357008
(E)-3-methylnonadec-5-ene
CID 145095642
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
CID 158490711
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
4,21-dimethylpentacos-7-ene
CID 91445883

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylheptadec-6-ene?
The IUPAC name of (Z)-3-methylheptadec-6-ene (CID 159647190) is (Z)-3-methylheptadec-6-ene.
What is the SMILES notation for (Z)-3-methylheptadec-6-ene?
The canonical SMILES for (Z)-3-methylheptadec-6-ene is CCCCCCCCCC/C=C\CCC(C)CC.
What is the InChIKey of (Z)-3-methylheptadec-6-ene?
The InChIKey is KLXVTBNBGZJRTQ-PFONDFGASA-N. The full InChI is InChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14-.
What are the key properties of (Z)-3-methylheptadec-6-ene?
(Z)-3-methylheptadec-6-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylheptadec-6-ene is sourced from PubChem (CID 159647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).