(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol

C14H28O — CID 10965845

IUPAC(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol
SMILESCCCC[C@@H](C=C(C)C)[C@@H](O)CCCC
InChIInChI=1S/C14H28O/c1-5-7-9-13(11-12(3)4)14(15)10-8-6-2/h11,13-15H,5-10H2,1-4H3/t13-,14-/m0/s1
InChIKeyPEZWEBQCOFZMGQ-KBPBESRZSA-N
MW212.38 g/mol
LogP4.31
Rot. Bonds8

About (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol

(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol (PubChem CID 10965845) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol.

Molecular Properties

Compound Name(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol
PubChem CID10965845
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol
SMILESCCCC[C@@H](C=C(C)C)[C@@H](O)CCCC
InChIInChI=1S/C14H28O/c1-5-7-9-13(11-12(3)4)14(15)10-8-6-2/h11,13-15H,5-10H2,1-4H3/t13-,14-/m0/s1
InChIKeyPEZWEBQCOFZMGQ-KBPBESRZSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol?
The IUPAC name of (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol (CID 10965845) is (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol.
What is the SMILES notation for (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol?
The canonical SMILES for (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol is CCCC[C@@H](C=C(C)C)[C@@H](O)CCCC.
What is the InChIKey of (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol?
The InChIKey is PEZWEBQCOFZMGQ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28O/c1-5-7-9-13(11-12(3)4)14(15)10-8-6-2/h11,13-15H,5-10H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol?
(5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol has a molecular weight of 212.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-(2-methylprop-1-enyl)decan-5-ol is sourced from PubChem (CID 10965845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).