1-propoxycyclohexan-1-ol

C9H18O2 — CID 54523589

IUPAC1-propoxycyclohexan-1-ol
SMILESCCCOC1(O)CCCCC1
InChIInChI=1S/C9H18O2/c1-2-8-11-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyBDXIGPKPEVJYDC-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.07
Rot. Bonds3

About 1-propoxycyclohexan-1-ol

1-propoxycyclohexan-1-ol (PubChem CID 54523589) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-propoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-propoxycyclohexan-1-ol
PubChem CID54523589
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-propoxycyclohexan-1-ol
SMILESCCCOC1(O)CCCCC1
InChIInChI=1S/C9H18O2/c1-2-8-11-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyBDXIGPKPEVJYDC-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propoxycyclohexan-1-ol?
The IUPAC name of 1-propoxycyclohexan-1-ol (CID 54523589) is 1-propoxycyclohexan-1-ol.
What is the SMILES notation for 1-propoxycyclohexan-1-ol?
The canonical SMILES for 1-propoxycyclohexan-1-ol is CCCOC1(O)CCCCC1.
What is the InChIKey of 1-propoxycyclohexan-1-ol?
The InChIKey is BDXIGPKPEVJYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-8-11-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3.
What are the key properties of 1-propoxycyclohexan-1-ol?
1-propoxycyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxycyclohexan-1-ol is sourced from PubChem (CID 54523589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).