(E,5R)-2,5-dimethylheptadec-8-ene

C19H38 — CID 11097499

IUPAC(E,5R)-2,5-dimethylheptadec-8-ene
SMILESCCCCCCCC/C=C/CC[C@H](C)CCC(C)C
InChIInChI=1S/C19H38/c1-5-6-7-8-9-10-11-12-13-14-15-19(4)17-16-18(2)3/h12-13,18-19H,5-11,14-17H2,1-4H3/b13-12+/t19-/m0/s1
InChIKeyPMTKAAGVSACYMF-HYSAVQALSA-N
MW266.51 g/mol
LogP7.15
Rot. Bonds13

About (E,5R)-2,5-dimethylheptadec-8-ene

(E,5R)-2,5-dimethylheptadec-8-ene (PubChem CID 11097499) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (E,5R)-2,5-dimethylheptadec-8-ene.

Molecular Properties

Compound Name(E,5R)-2,5-dimethylheptadec-8-ene
PubChem CID11097499
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(E,5R)-2,5-dimethylheptadec-8-ene
SMILESCCCCCCCC/C=C/CC[C@H](C)CCC(C)C
InChIInChI=1S/C19H38/c1-5-6-7-8-9-10-11-12-13-14-15-19(4)17-16-18(2)3/h12-13,18-19H,5-11,14-17H2,1-4H3/b13-12+/t19-/m0/s1
InChIKeyPMTKAAGVSACYMF-HYSAVQALSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.15
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)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(Z)-3-methylheptadec-6-ene
CID 159647190
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
2-methylhenicos-9-ene
CID 54211724
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271

Frequently Asked Questions

What is the IUPAC name of (E,5R)-2,5-dimethylheptadec-8-ene?
The IUPAC name of (E,5R)-2,5-dimethylheptadec-8-ene (CID 11097499) is (E,5R)-2,5-dimethylheptadec-8-ene.
What is the SMILES notation for (E,5R)-2,5-dimethylheptadec-8-ene?
The canonical SMILES for (E,5R)-2,5-dimethylheptadec-8-ene is CCCCCCCC/C=C/CC[C@H](C)CCC(C)C.
What is the InChIKey of (E,5R)-2,5-dimethylheptadec-8-ene?
The InChIKey is PMTKAAGVSACYMF-HYSAVQALSA-N. The full InChI is InChI=1S/C19H38/c1-5-6-7-8-9-10-11-12-13-14-15-19(4)17-16-18(2)3/h12-13,18-19H,5-11,14-17H2,1-4H3/b13-12+/t19-/m0/s1.
What are the key properties of (E,5R)-2,5-dimethylheptadec-8-ene?
(E,5R)-2,5-dimethylheptadec-8-ene has a molecular weight of 266.51 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-2,5-dimethylheptadec-8-ene is sourced from PubChem (CID 11097499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).