1-(1-methylcyclohexyl)oxypropan-1-ol

C10H20O2 — CID 88978935

IUPAC1-(1-methylcyclohexyl)oxypropan-1-ol
SMILESCCC(O)OC1(C)CCCCC1
InChIInChI=1S/C10H20O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h9,11H,3-8H2,1-2H3
InChIKeyWZCCPKVWFCPKER-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-methylcyclohexyl)oxypropan-1-ol

1-(1-methylcyclohexyl)oxypropan-1-ol (PubChem CID 88978935) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)oxypropan-1-ol
PubChem CID88978935
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(1-methylcyclohexyl)oxypropan-1-ol
SMILESCCC(O)OC1(C)CCCCC1
InChIInChI=1S/C10H20O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h9,11H,3-8H2,1-2H3
InChIKeyWZCCPKVWFCPKER-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.45
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-(1-methylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 1-(1-methylcyclohexyl)oxypropan-1-ol (CID 88978935) is 1-(1-methylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 1-(1-methylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 1-(1-methylcyclohexyl)oxypropan-1-ol is CCC(O)OC1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)oxypropan-1-ol?
The InChIKey is WZCCPKVWFCPKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexyl)oxypropan-1-ol?
1-(1-methylcyclohexyl)oxypropan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 88978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).