6,10,14-trimethylpentadec-4-yne-2,6-diol

C18H34O2 — CID 11022377

IUPAC6,10,14-trimethylpentadec-4-yne-2,6-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C#CCC(C)O
InChIInChI=1S/C18H34O2/c1-15(2)9-6-10-16(3)11-7-13-18(5,20)14-8-12-17(4)19/h15-17,19-20H,6-7,9-13H2,1-5H3
InChIKeyTXTLQNSFGACXNY-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.14
Rot. Bonds9

About 6,10,14-trimethylpentadec-4-yne-2,6-diol

6,10,14-trimethylpentadec-4-yne-2,6-diol (PubChem CID 11022377) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 6,10,14-trimethylpentadec-4-yne-2,6-diol.

Molecular Properties

Compound Name6,10,14-trimethylpentadec-4-yne-2,6-diol
PubChem CID11022377
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name6,10,14-trimethylpentadec-4-yne-2,6-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C#CCC(C)O
InChIInChI=1S/C18H34O2/c1-15(2)9-6-10-16(3)11-7-13-18(5,20)14-8-12-17(4)19/h15-17,19-20H,6-7,9-13H2,1-5H3
InChIKeyTXTLQNSFGACXNY-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethylpentadec-4-yne-2,6-diol?
The IUPAC name of 6,10,14-trimethylpentadec-4-yne-2,6-diol (CID 11022377) is 6,10,14-trimethylpentadec-4-yne-2,6-diol.
What is the SMILES notation for 6,10,14-trimethylpentadec-4-yne-2,6-diol?
The canonical SMILES for 6,10,14-trimethylpentadec-4-yne-2,6-diol is CC(C)CCCC(C)CCCC(C)(O)C#CCC(C)O.
What is the InChIKey of 6,10,14-trimethylpentadec-4-yne-2,6-diol?
The InChIKey is TXTLQNSFGACXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-15(2)9-6-10-16(3)11-7-13-18(5,20)14-8-12-17(4)19/h15-17,19-20H,6-7,9-13H2,1-5H3.
What are the key properties of 6,10,14-trimethylpentadec-4-yne-2,6-diol?
6,10,14-trimethylpentadec-4-yne-2,6-diol has a molecular weight of 282.47 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethylpentadec-4-yne-2,6-diol is sourced from PubChem (CID 11022377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).