(1-propan-2-yloxycyclohexyl)methanol

C10H20O2 — CID 116821136

IUPAC(1-propan-2-yloxycyclohexyl)methanol
SMILESCC(C)OC1(CO)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyWMMWQGUJKWNQSD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds3

About (1-propan-2-yloxycyclohexyl)methanol

(1-propan-2-yloxycyclohexyl)methanol (PubChem CID 116821136) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1-propan-2-yloxycyclohexyl)methanol.

Molecular Properties

Compound Name(1-propan-2-yloxycyclohexyl)methanol
PubChem CID116821136
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1-propan-2-yloxycyclohexyl)methanol
SMILESCC(C)OC1(CO)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyWMMWQGUJKWNQSD-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yloxycyclohexyl)methanol?
The IUPAC name of (1-propan-2-yloxycyclohexyl)methanol (CID 116821136) is (1-propan-2-yloxycyclohexyl)methanol.
What is the SMILES notation for (1-propan-2-yloxycyclohexyl)methanol?
The canonical SMILES for (1-propan-2-yloxycyclohexyl)methanol is CC(C)OC1(CO)CCCCC1.
What is the InChIKey of (1-propan-2-yloxycyclohexyl)methanol?
The InChIKey is WMMWQGUJKWNQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,11H,3-8H2,1-2H3.
What are the key properties of (1-propan-2-yloxycyclohexyl)methanol?
(1-propan-2-yloxycyclohexyl)methanol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yloxycyclohexyl)methanol is sourced from PubChem (CID 116821136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).