1-cyclohexyl-1-cyclopentyloxypropan-2-ol

C14H26O2 — CID 67782528

IUPAC1-cyclohexyl-1-cyclopentyloxypropan-2-ol
SMILESCC(O)C(OC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-11(15)14(12-7-3-2-4-8-12)16-13-9-5-6-10-13/h11-15H,2-10H2,1H3
InChIKeyIUNFAIYGNVDQNF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclohexyl-1-cyclopentyloxypropan-2-ol

1-cyclohexyl-1-cyclopentyloxypropan-2-ol (PubChem CID 67782528) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-cyclopentyloxypropan-2-ol
PubChem CID67782528
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclohexyl-1-cyclopentyloxypropan-2-ol
SMILESCC(O)C(OC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-11(15)14(12-7-3-2-4-8-12)16-13-9-5-6-10-13/h11-15H,2-10H2,1H3
InChIKeyIUNFAIYGNVDQNF-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-cyclohexyl-1-cyclopentyloxypropan-2-ol (CID 67782528) is 1-cyclohexyl-1-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-cyclohexyl-1-cyclopentyloxypropan-2-ol is CC(O)C(OC1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-cyclopentyloxypropan-2-ol?
The InChIKey is IUNFAIYGNVDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(15)14(12-7-3-2-4-8-12)16-13-9-5-6-10-13/h11-15H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-1-cyclopentyloxypropan-2-ol?
1-cyclohexyl-1-cyclopentyloxypropan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 67782528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).