1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol

C9H14O2 — CID 4277820

IUPAC1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
SMILESOCC#CC1(O)CCCCC1
InChIInChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h10-11H,1-3,5-6,8H2
InChIKeyIACPYUXMRKYCDO-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.68
Rot. Bonds

About 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol

1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol (PubChem CID 4277820) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
PubChem CID4277820
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
SMILESOCC#CC1(O)CCCCC1
InChIInChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h10-11H,1-3,5-6,8H2
InChIKeyIACPYUXMRKYCDO-UHFFFAOYSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.68
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 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol (CID 4277820) is 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol is OCC#CC1(O)CCCCC1.
What is the InChIKey of 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is IACPYUXMRKYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h10-11H,1-3,5-6,8H2.
What are the key properties of 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 4277820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).