(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol

C14H24O2 — CID 11514102

IUPAC(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol
SMILESCCCCC/C(=C/C#CC(C)(C)O)C(C)O
InChIInChI=1S/C14H24O2/c1-5-6-7-9-13(12(2)15)10-8-11-14(3,4)16/h10,12,15-16H,5-7,9H2,1-4H3/b13-10-
InChIKeyHXJDWPUOSMVUNN-RAXLEYEMSA-N
MW224.34 g/mol
LogP2.65
Rot. Bonds5

About (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol

(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol (PubChem CID 11514102) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol.

Molecular Properties

Compound Name(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol
PubChem CID11514102
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol
SMILESCCCCC/C(=C/C#CC(C)(C)O)C(C)O
InChIInChI=1S/C14H24O2/c1-5-6-7-9-13(12(2)15)10-8-11-14(3,4)16/h10,12,15-16H,5-7,9H2,1-4H3/b13-10-
InChIKeyHXJDWPUOSMVUNN-RAXLEYEMSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Dendroarboreol B
CID 5469788
Virol C
CID 11108150
Ginsenoyne K
CID 15736266
4-Methyldec-3-en-5-ol
CID 6441135
4-Methyl-3-decen-5-ol
CID 163336
1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 4557
(3S)-Diynene
CID 5469784
Triangulyne C
CID 5469812
9-Pentadecene-12,14-diyne-1,11-diol
CID 13913099
Panaxydiol
CID 95790147
(9Z,16S)-octadeca-9,17-dien-12,14-diyne-1,16-diol
CID 145954541

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol?
The IUPAC name of (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol (CID 11514102) is (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol.
What is the SMILES notation for (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol?
The canonical SMILES for (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol is CCCCC/C(=C/C#CC(C)(C)O)C(C)O.
What is the InChIKey of (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol?
The InChIKey is HXJDWPUOSMVUNN-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-6-7-9-13(12(2)15)10-8-11-14(3,4)16/h10,12,15-16H,5-7,9H2,1-4H3/b13-10-.
What are the key properties of (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol?
(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol has a molecular weight of 224.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol is sourced from PubChem (CID 11514102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).