3,3,5,8,8-pentamethylundec-5-ene-1,10-diol

C16H32O2 — CID 91356512

IUPAC3,3,5,8,8-pentamethylundec-5-ene-1,10-diol
SMILESCC(=CCC(C)(C)CC(C)O)CC(C)(C)CCO
InChIInChI=1S/C16H32O2/c1-13(11-16(5,6)9-10-17)7-8-15(3,4)12-14(2)18/h7,14,17-18H,8-12H2,1-6H3
InChIKeyLGXMZZCPRSMHNR-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.92
Rot. Bonds8

About 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol

3,3,5,8,8-pentamethylundec-5-ene-1,10-diol (PubChem CID 91356512) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol.

Molecular Properties

Compound Name3,3,5,8,8-pentamethylundec-5-ene-1,10-diol
PubChem CID91356512
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3,3,5,8,8-pentamethylundec-5-ene-1,10-diol
SMILESCC(=CCC(C)(C)CC(C)O)CC(C)(C)CCO
InChIInChI=1S/C16H32O2/c1-13(11-16(5,6)9-10-17)7-8-15(3,4)12-14(2)18/h7,14,17-18H,8-12H2,1-6H3
InChIKeyLGXMZZCPRSMHNR-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-Octene-1,3-diol, 3,7-dimethyl-, (3R)-
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3,7,11,15,19-Pentamethylicosa-6,10,14,18-tetraen-1-ol
CID 54000506
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CID 85677

Frequently Asked Questions

What is the IUPAC name of 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol?
The IUPAC name of 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol (CID 91356512) is 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol.
What is the SMILES notation for 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol?
The canonical SMILES for 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol is CC(=CCC(C)(C)CC(C)O)CC(C)(C)CCO.
What is the InChIKey of 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol?
The InChIKey is LGXMZZCPRSMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-13(11-16(5,6)9-10-17)7-8-15(3,4)12-14(2)18/h7,14,17-18H,8-12H2,1-6H3.
What are the key properties of 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol?
3,3,5,8,8-pentamethylundec-5-ene-1,10-diol has a molecular weight of 256.43 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,8,8-pentamethylundec-5-ene-1,10-diol is sourced from PubChem (CID 91356512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).