1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol

C13H26O — CID 79444321

IUPAC1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
SMILESCCC(C)C1(O)CCC(C(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-11(4)13(14)8-6-12(7-9-13)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyIZWUVVOZMFKOEG-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds3

About 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol

1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79444321) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
PubChem CID79444321
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
SMILESCCC(C)C1(O)CCC(C(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-11(4)13(14)8-6-12(7-9-13)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyIZWUVVOZMFKOEG-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol (CID 79444321) is 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol is CCC(C)C1(O)CCC(C(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is IZWUVVOZMFKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-11(4)13(14)8-6-12(7-9-13)10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79444321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).