2-methyl-2-propylpentadec-6-en-1-ol

C19H38O — CID 90747198

IUPAC2-methyl-2-propylpentadec-6-en-1-ol
SMILESCCCCCCCCC=CCCCC(C)(CO)CCC
InChIInChI=1S/C19H38O/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(3,18-20)16-5-2/h12-13,20H,4-11,14-18H2,1-3H3
InChIKeyYWHCYDMJEFDEOW-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.26
Rot. Bonds14

About 2-methyl-2-propylpentadec-6-en-1-ol

2-methyl-2-propylpentadec-6-en-1-ol (PubChem CID 90747198) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-methyl-2-propylpentadec-6-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-propylpentadec-6-en-1-ol
PubChem CID90747198
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2-methyl-2-propylpentadec-6-en-1-ol
SMILESCCCCCCCCC=CCCCC(C)(CO)CCC
InChIInChI=1S/C19H38O/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(3,18-20)16-5-2/h12-13,20H,4-11,14-18H2,1-3H3
InChIKeyYWHCYDMJEFDEOW-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Oleyl Alcohol
CID 5284499
Virelure
CID 5283305
Linoleyl alcohol
CID 5365682
Linolenyl alcohol
CID 6436081
(Z)-11-Eicosen-1-ol
CID 9900830
(Z)-Hexadec-9-en-1-ol
CID 5367661
Elaidic alcohol
CID 5367665
(E)-11-Hexadecen-1-ol
CID 5352278
9-Octadecen-1-ol
CID 8927
Npc34973
CID 5462912
Geranylcitronellol
CID 5365870
9-Hexadecen-1-ol
CID 5283282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylpentadec-6-en-1-ol?
The IUPAC name of 2-methyl-2-propylpentadec-6-en-1-ol (CID 90747198) is 2-methyl-2-propylpentadec-6-en-1-ol.
What is the SMILES notation for 2-methyl-2-propylpentadec-6-en-1-ol?
The canonical SMILES for 2-methyl-2-propylpentadec-6-en-1-ol is CCCCCCCCC=CCCCC(C)(CO)CCC.
What is the InChIKey of 2-methyl-2-propylpentadec-6-en-1-ol?
The InChIKey is YWHCYDMJEFDEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(3,18-20)16-5-2/h12-13,20H,4-11,14-18H2,1-3H3.
What are the key properties of 2-methyl-2-propylpentadec-6-en-1-ol?
2-methyl-2-propylpentadec-6-en-1-ol has a molecular weight of 282.51 g/mol, XLogP of 6.26, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylpentadec-6-en-1-ol is sourced from PubChem (CID 90747198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).