pentadec-9-ene-6,6-diol

C15H30O2 — CID 173093870

IUPACpentadec-9-ene-6,6-diol
SMILESCCCCCC=CCCC(O)(O)CCCCC
InChIInChI=1S/C15H30O2/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2/h9-10,16-17H,3-8,11-14H2,1-2H3
InChIKeyIIILEZGUILSFBK-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.16
Rot. Bonds11

About pentadec-9-ene-6,6-diol

pentadec-9-ene-6,6-diol (PubChem CID 173093870) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is pentadec-9-ene-6,6-diol.

Molecular Properties

Compound Namepentadec-9-ene-6,6-diol
PubChem CID173093870
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namepentadec-9-ene-6,6-diol
SMILESCCCCCC=CCCC(O)(O)CCCCC
InChIInChI=1S/C15H30O2/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2/h9-10,16-17H,3-8,11-14H2,1-2H3
InChIKeyIIILEZGUILSFBK-UHFFFAOYSA-N
XLogP4.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

docosane-10,10-diol
CID 20528880
(9Z)-hexatriaconta-9,19-diene-18,18-diol
CID 173172892
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
(6Z,27Z,30Z)-9-methylhexatriaconta-6,27,30-triene-18,18-diol
CID 143992012
2-methylheptadec-12-en-2-ol
CID 90988824
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(Z)-docos-9-ene
CID 11690102
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of pentadec-9-ene-6,6-diol?
The IUPAC name of pentadec-9-ene-6,6-diol (CID 173093870) is pentadec-9-ene-6,6-diol.
What is the SMILES notation for pentadec-9-ene-6,6-diol?
The canonical SMILES for pentadec-9-ene-6,6-diol is CCCCCC=CCCC(O)(O)CCCCC.
What is the InChIKey of pentadec-9-ene-6,6-diol?
The InChIKey is IIILEZGUILSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2/h9-10,16-17H,3-8,11-14H2,1-2H3.
What are the key properties of pentadec-9-ene-6,6-diol?
pentadec-9-ene-6,6-diol has a molecular weight of 242.40 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-9-ene-6,6-diol is sourced from PubChem (CID 173093870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).