2-butan-2-yl-1-ethylcyclohexan-1-ol

C12H24O — CID 154099705

IUPAC2-butan-2-yl-1-ethylcyclohexan-1-ol
SMILESCCC(C)C1CCCCC1(O)CC
InChIInChI=1S/C12H24O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyWCOJKAAQVZNDQU-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds3

About 2-butan-2-yl-1-ethylcyclohexan-1-ol

2-butan-2-yl-1-ethylcyclohexan-1-ol (PubChem CID 154099705) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-butan-2-yl-1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-butan-2-yl-1-ethylcyclohexan-1-ol
PubChem CID154099705
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-butan-2-yl-1-ethylcyclohexan-1-ol
SMILESCCC(C)C1CCCCC1(O)CC
InChIInChI=1S/C12H24O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyWCOJKAAQVZNDQU-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 2-butan-2-yl-1-ethylcyclohexan-1-ol?
The IUPAC name of 2-butan-2-yl-1-ethylcyclohexan-1-ol (CID 154099705) is 2-butan-2-yl-1-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-butan-2-yl-1-ethylcyclohexan-1-ol?
The canonical SMILES for 2-butan-2-yl-1-ethylcyclohexan-1-ol is CCC(C)C1CCCCC1(O)CC.
What is the InChIKey of 2-butan-2-yl-1-ethylcyclohexan-1-ol?
The InChIKey is WCOJKAAQVZNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-ethylcyclohexan-1-ol?
2-butan-2-yl-1-ethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-ethylcyclohexan-1-ol is sourced from PubChem (CID 154099705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).