1-cyclopropyl-4,5-dimethylhexan-3-ol

C11H22O — CID 115810725

IUPAC1-cyclopropyl-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)CCC1CC1
InChIInChI=1S/C11H22O/c1-8(2)9(3)11(12)7-6-10-4-5-10/h8-12H,4-7H2,1-3H3
InChIKeyODDUOVZQTDSHLP-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopropyl-4,5-dimethylhexan-3-ol

1-cyclopropyl-4,5-dimethylhexan-3-ol (PubChem CID 115810725) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-cyclopropyl-4,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-4,5-dimethylhexan-3-ol
PubChem CID115810725
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-cyclopropyl-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)CCC1CC1
InChIInChI=1S/C11H22O/c1-8(2)9(3)11(12)7-6-10-4-5-10/h8-12H,4-7H2,1-3H3
InChIKeyODDUOVZQTDSHLP-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5-dimethylhexan-3-ol?
The IUPAC name of 1-cyclopropyl-4,5-dimethylhexan-3-ol (CID 115810725) is 1-cyclopropyl-4,5-dimethylhexan-3-ol.
What is the SMILES notation for 1-cyclopropyl-4,5-dimethylhexan-3-ol?
The canonical SMILES for 1-cyclopropyl-4,5-dimethylhexan-3-ol is CC(C)C(C)C(O)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-4,5-dimethylhexan-3-ol?
The InChIKey is ODDUOVZQTDSHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)9(3)11(12)7-6-10-4-5-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-4,5-dimethylhexan-3-ol?
1-cyclopropyl-4,5-dimethylhexan-3-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5-dimethylhexan-3-ol is sourced from PubChem (CID 115810725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).