1-cyclopropylhept-2-yne-1,7-diol

C10H16O2 — CID 134845637

IUPAC1-cyclopropylhept-2-yne-1,7-diol
SMILESOCCCCC#CC(O)C1CC1
InChIInChI=1S/C10H16O2/c11-8-4-2-1-3-5-10(12)9-6-7-9/h9-12H,1-2,4,6-8H2
InChIKeyMWNMAPZTNZPQSR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.92
Rot. Bonds4

About 1-cyclopropylhept-2-yne-1,7-diol

1-cyclopropylhept-2-yne-1,7-diol (PubChem CID 134845637) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopropylhept-2-yne-1,7-diol.

Molecular Properties

Compound Name1-cyclopropylhept-2-yne-1,7-diol
PubChem CID134845637
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclopropylhept-2-yne-1,7-diol
SMILESOCCCCC#CC(O)C1CC1
InChIInChI=1S/C10H16O2/c11-8-4-2-1-3-5-10(12)9-6-7-9/h9-12H,1-2,4,6-8H2
InChIKeyMWNMAPZTNZPQSR-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.92
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'}

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Related Compounds

1-cyclopentylhept-2-yne-1,7-diol
CID 134861232
1-cyclopentylhex-2-yne-1,6-diol
CID 134846390
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CID 177314647
11-methyltridec-12-en-9-yn-1-ol
CID 71375174
6-(4-methylcyclohexyl)hex-5-yn-1-ol
CID 140577326
non-2-yne-1,9-diol
CID 10997284
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
7-ethylnon-8-en-5-yn-1-ol
CID 121216513
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
(1R)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
CID 130991988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylhept-2-yne-1,7-diol?
The IUPAC name of 1-cyclopropylhept-2-yne-1,7-diol (CID 134845637) is 1-cyclopropylhept-2-yne-1,7-diol.
What is the SMILES notation for 1-cyclopropylhept-2-yne-1,7-diol?
The canonical SMILES for 1-cyclopropylhept-2-yne-1,7-diol is OCCCCC#CC(O)C1CC1.
What is the InChIKey of 1-cyclopropylhept-2-yne-1,7-diol?
The InChIKey is MWNMAPZTNZPQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-2-1-3-5-10(12)9-6-7-9/h9-12H,1-2,4,6-8H2.
What are the key properties of 1-cyclopropylhept-2-yne-1,7-diol?
1-cyclopropylhept-2-yne-1,7-diol has a molecular weight of 168.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylhept-2-yne-1,7-diol is sourced from PubChem (CID 134845637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).