1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol

C11H22O — CID 107005279

IUPAC1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)C1CC1(C)C
InChIInChI=1S/C11H22O/c1-8(2)5-6-10(12)9-7-11(9,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyKPQJYCMNSCYROU-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol

1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol (PubChem CID 107005279) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
PubChem CID107005279
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)C1CC1(C)C
InChIInChI=1S/C11H22O/c1-8(2)5-6-10(12)9-7-11(9,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyKPQJYCMNSCYROU-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

[1-(2,2-dimethylcyclopropyl)-4-methylpentyl]hydrazine
CID 107005606
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol
CID 139393131
1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
CID 107005265
1-(2,2-dimethylcyclopropyl)-5,5-dimethylhex-3-yn-1-ol
CID 130478761
4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol
CID 88870107
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
CID 131123429
(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
CID 107924727
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol (CID 107005279) is 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol is CC(C)CCC(O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol?
The InChIKey is KPQJYCMNSCYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)5-6-10(12)9-7-11(9,3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol?
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol is sourced from PubChem (CID 107005279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).