4-methoxy-1-prop-1-ynylcyclohexan-1-ol

C10H16O2 — CID 130515751

IUPAC4-methoxy-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCC(OC)CC1
InChIInChI=1S/C10H16O2/c1-3-6-10(11)7-4-9(12-2)5-8-10/h9,11H,4-5,7-8H2,1-2H3
InChIKeyMDUXBHXVCZZBJP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.33
Rot. Bonds1

About 4-methoxy-1-prop-1-ynylcyclohexan-1-ol

4-methoxy-1-prop-1-ynylcyclohexan-1-ol (PubChem CID 130515751) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methoxy-1-prop-1-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-prop-1-ynylcyclohexan-1-ol
PubChem CID130515751
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methoxy-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCC(OC)CC1
InChIInChI=1S/C10H16O2/c1-3-6-10(11)7-4-9(12-2)5-8-10/h9,11H,4-5,7-8H2,1-2H3
InChIKeyMDUXBHXVCZZBJP-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 4-methoxy-1-prop-1-ynylcyclohexan-1-ol?
The IUPAC name of 4-methoxy-1-prop-1-ynylcyclohexan-1-ol (CID 130515751) is 4-methoxy-1-prop-1-ynylcyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-1-prop-1-ynylcyclohexan-1-ol?
The canonical SMILES for 4-methoxy-1-prop-1-ynylcyclohexan-1-ol is CC#CC1(O)CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-prop-1-ynylcyclohexan-1-ol?
The InChIKey is MDUXBHXVCZZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-6-10(11)7-4-9(12-2)5-8-10/h9,11H,4-5,7-8H2,1-2H3.
What are the key properties of 4-methoxy-1-prop-1-ynylcyclohexan-1-ol?
4-methoxy-1-prop-1-ynylcyclohexan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-prop-1-ynylcyclohexan-1-ol is sourced from PubChem (CID 130515751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).