(E)-5,6-dimethylhexadec-7-ene

C18H36 — CID 173368393

IUPAC(E)-5,6-dimethylhexadec-7-ene
SMILESCCCCCCCC/C=C/C(C)C(C)CCCC
InChIInChI=1S/C18H36/c1-5-7-9-10-11-12-13-14-16-18(4)17(3)15-8-6-2/h14,16-18H,5-13,15H2,1-4H3/b16-14+
InChIKeyYNZLKUGRZRWDII-JQIJEIRASA-N
MW252.49 g/mol
LogP6.76
Rot. Bonds12

About (E)-5,6-dimethylhexadec-7-ene

(E)-5,6-dimethylhexadec-7-ene (PubChem CID 173368393) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (E)-5,6-dimethylhexadec-7-ene.

Molecular Properties

Compound Name(E)-5,6-dimethylhexadec-7-ene
PubChem CID173368393
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(E)-5,6-dimethylhexadec-7-ene
SMILESCCCCCCCC/C=C/C(C)C(C)CCCC
InChIInChI=1S/C18H36/c1-5-7-9-10-11-12-13-14-16-18(4)17(3)15-8-6-2/h14,16-18H,5-13,15H2,1-4H3/b16-14+
InChIKeyYNZLKUGRZRWDII-JQIJEIRASA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.76
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

4,5-dimethylicos-6-ene
CID 72645531
9-hexan-2-ylpentadec-7-ene
CID 57270482
5-methylpentadec-6-ene
CID 123440014
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
5-methyldodec-6-ene
CID 86165480
(E)-6-butylhexacos-7-ene
CID 173194372
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
3-methyltetradec-4-ene
CID 123180851
undec-3-en-2-ol
CID 174515693
9,10-dioctyloctadeca-7,11-diene
CID 173120989
2-chlorodec-3-ene
CID 71337420

Frequently Asked Questions

What is the IUPAC name of (E)-5,6-dimethylhexadec-7-ene?
The IUPAC name of (E)-5,6-dimethylhexadec-7-ene (CID 173368393) is (E)-5,6-dimethylhexadec-7-ene.
What is the SMILES notation for (E)-5,6-dimethylhexadec-7-ene?
The canonical SMILES for (E)-5,6-dimethylhexadec-7-ene is CCCCCCCC/C=C/C(C)C(C)CCCC.
What is the InChIKey of (E)-5,6-dimethylhexadec-7-ene?
The InChIKey is YNZLKUGRZRWDII-JQIJEIRASA-N. The full InChI is InChI=1S/C18H36/c1-5-7-9-10-11-12-13-14-16-18(4)17(3)15-8-6-2/h14,16-18H,5-13,15H2,1-4H3/b16-14+.
What are the key properties of (E)-5,6-dimethylhexadec-7-ene?
(E)-5,6-dimethylhexadec-7-ene has a molecular weight of 252.49 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-dimethylhexadec-7-ene is sourced from PubChem (CID 173368393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).