2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol

C14H26O2 — CID 62550015

IUPAC2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC2CCCO2)C1
InChIInChI=1S/C14H26O2/c1-2-4-11-6-7-14(15)12(9-11)10-13-5-3-8-16-13/h11-15H,2-10H2,1H3
InChIKeyAHIGDTYVFXUOQD-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds4

About 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol

2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol (PubChem CID 62550015) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
PubChem CID62550015
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC2CCCO2)C1
InChIInChI=1S/C14H26O2/c1-2-4-11-6-7-14(15)12(9-11)10-13-5-3-8-16-13/h11-15H,2-10H2,1H3
InChIKeyAHIGDTYVFXUOQD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol (CID 62550015) is 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CC2CCCO2)C1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol?
The InChIKey is AHIGDTYVFXUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-4-11-6-7-14(15)12(9-11)10-13-5-3-8-16-13/h11-15H,2-10H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol?
2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62550015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).