(2S,6R)-2,6-dimethylpentadec-14-en-1-ol

C17H34O — CID 10800971

IUPAC(2S,6R)-2,6-dimethylpentadec-14-en-1-ol
SMILESC=CCCCCCCC[C@@H](C)CCC[C@H](C)CO
InChIInChI=1S/C17H34O/c1-4-5-6-7-8-9-10-12-16(2)13-11-14-17(3)15-18/h4,16-18H,1,5-15H2,2-3H3/t16-,17+/m1/s1
InChIKeyPPGVEDNBLXVWID-SJORKVTESA-N
MW254.46 g/mol
LogP5.34
Rot. Bonds13

About (2S,6R)-2,6-dimethylpentadec-14-en-1-ol

(2S,6R)-2,6-dimethylpentadec-14-en-1-ol (PubChem CID 10800971) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylpentadec-14-en-1-ol.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylpentadec-14-en-1-ol
PubChem CID10800971
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(2S,6R)-2,6-dimethylpentadec-14-en-1-ol
SMILESC=CCCCCCCC[C@@H](C)CCC[C@H](C)CO
InChIInChI=1S/C17H34O/c1-4-5-6-7-8-9-10-12-16(2)13-11-14-17(3)15-18/h4,16-18H,1,5-15H2,2-3H3/t16-,17+/m1/s1
InChIKeyPPGVEDNBLXVWID-SJORKVTESA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.34
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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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylpentadec-14-en-1-ol?
The IUPAC name of (2S,6R)-2,6-dimethylpentadec-14-en-1-ol (CID 10800971) is (2S,6R)-2,6-dimethylpentadec-14-en-1-ol.
What is the SMILES notation for (2S,6R)-2,6-dimethylpentadec-14-en-1-ol?
The canonical SMILES for (2S,6R)-2,6-dimethylpentadec-14-en-1-ol is C=CCCCCCCC[C@@H](C)CCC[C@H](C)CO.
What is the InChIKey of (2S,6R)-2,6-dimethylpentadec-14-en-1-ol?
The InChIKey is PPGVEDNBLXVWID-SJORKVTESA-N. The full InChI is InChI=1S/C17H34O/c1-4-5-6-7-8-9-10-12-16(2)13-11-14-17(3)15-18/h4,16-18H,1,5-15H2,2-3H3/t16-,17+/m1/s1.
What are the key properties of (2S,6R)-2,6-dimethylpentadec-14-en-1-ol?
(2S,6R)-2,6-dimethylpentadec-14-en-1-ol has a molecular weight of 254.46 g/mol, XLogP of 5.34, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylpentadec-14-en-1-ol is sourced from PubChem (CID 10800971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).