4-(4-ethylcyclohexyl)butan-2-ol

C12H24O — CID 64774700

IUPAC4-(4-ethylcyclohexyl)butan-2-ol
SMILESCCC1CCC(CCC(C)O)CC1
InChIInChI=1S/C12H24O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h10-13H,3-9H2,1-2H3
InChIKeyGNTKXNMDEVNKIS-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-ethylcyclohexyl)butan-2-ol

4-(4-ethylcyclohexyl)butan-2-ol (PubChem CID 64774700) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)butan-2-ol
PubChem CID64774700
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-(4-ethylcyclohexyl)butan-2-ol
SMILESCCC1CCC(CCC(C)O)CC1
InChIInChI=1S/C12H24O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h10-13H,3-9H2,1-2H3
InChIKeyGNTKXNMDEVNKIS-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)butan-2-ol?
The IUPAC name of 4-(4-ethylcyclohexyl)butan-2-ol (CID 64774700) is 4-(4-ethylcyclohexyl)butan-2-ol.
What is the SMILES notation for 4-(4-ethylcyclohexyl)butan-2-ol?
The canonical SMILES for 4-(4-ethylcyclohexyl)butan-2-ol is CCC1CCC(CCC(C)O)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)butan-2-ol?
The InChIKey is GNTKXNMDEVNKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-(4-ethylcyclohexyl)butan-2-ol?
4-(4-ethylcyclohexyl)butan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)butan-2-ol is sourced from PubChem (CID 64774700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).