5-methyl-2-pentylhept-5-en-1-ol

C13H26O — CID 150209179

IUPAC5-methyl-2-pentylhept-5-en-1-ol
SMILESCC=C(C)CCC(CO)CCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-13(11-14)10-9-12(3)5-2/h5,13-14H,4,6-11H2,1-3H3
InChIKeyFRCRQSKPSODIAF-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds8

About 5-methyl-2-pentylhept-5-en-1-ol

5-methyl-2-pentylhept-5-en-1-ol (PubChem CID 150209179) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-methyl-2-pentylhept-5-en-1-ol.

Molecular Properties

Compound Name5-methyl-2-pentylhept-5-en-1-ol
PubChem CID150209179
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-methyl-2-pentylhept-5-en-1-ol
SMILESCC=C(C)CCC(CO)CCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-13(11-14)10-9-12(3)5-2/h5,13-14H,4,6-11H2,1-3H3
InChIKeyFRCRQSKPSODIAF-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.92
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

2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
ethanol;2-heptylnonan-1-ol
CID 122482877
(2S)-2-propyldecan-1-ol
CID 10176571
2-propyldodecan-1-ol
CID 14438908
2-propylheptadecan-1-ol
CID 137441509
2-pentadecylpropane-1,3-diol
CID 91351654

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentylhept-5-en-1-ol?
The IUPAC name of 5-methyl-2-pentylhept-5-en-1-ol (CID 150209179) is 5-methyl-2-pentylhept-5-en-1-ol.
What is the SMILES notation for 5-methyl-2-pentylhept-5-en-1-ol?
The canonical SMILES for 5-methyl-2-pentylhept-5-en-1-ol is CC=C(C)CCC(CO)CCCCC.
What is the InChIKey of 5-methyl-2-pentylhept-5-en-1-ol?
The InChIKey is FRCRQSKPSODIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-13(11-14)10-9-12(3)5-2/h5,13-14H,4,6-11H2,1-3H3.
What are the key properties of 5-methyl-2-pentylhept-5-en-1-ol?
5-methyl-2-pentylhept-5-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentylhept-5-en-1-ol is sourced from PubChem (CID 150209179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).