4-cyclopropyl-2,6-dimethylheptan-4-ol

C12H24O — CID 114865303

IUPAC4-cyclopropyl-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CC1
InChIInChI=1S/C12H24O/c1-9(2)7-12(13,8-10(3)4)11-5-6-11/h9-11,13H,5-8H2,1-4H3
InChIKeyLVAAQCLQXXJISI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds5

About 4-cyclopropyl-2,6-dimethylheptan-4-ol

4-cyclopropyl-2,6-dimethylheptan-4-ol (PubChem CID 114865303) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-cyclopropyl-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-cyclopropyl-2,6-dimethylheptan-4-ol
PubChem CID114865303
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-cyclopropyl-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CC1
InChIInChI=1S/C12H24O/c1-9(2)7-12(13,8-10(3)4)11-5-6-11/h9-11,13H,5-8H2,1-4H3
InChIKeyLVAAQCLQXXJISI-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
1-amino-2-cyclopropyl-6-methylheptan-2-ol
CID 83158527
4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
CID 114865417
4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
CID 114865349
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 64818466
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
1-cyclopentyl-2-cyclopropylbutan-2-ol
CID 65153921
3-cyclopentylpentan-3-ol;sulfane
CID 160773111
2-cyclopropyl-3,4-dimethylpentan-2-ol
CID 130647257
2-cyclopropyl-1-(cyclopropylamino)butan-2-ol
CID 64919587

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-cyclopropyl-2,6-dimethylheptan-4-ol (CID 114865303) is 4-cyclopropyl-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-cyclopropyl-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-cyclopropyl-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)C1CC1.
What is the InChIKey of 4-cyclopropyl-2,6-dimethylheptan-4-ol?
The InChIKey is LVAAQCLQXXJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)7-12(13,8-10(3)4)11-5-6-11/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 4-cyclopropyl-2,6-dimethylheptan-4-ol?
4-cyclopropyl-2,6-dimethylheptan-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).