4-(2-cyclopropylethyl)heptan-4-ol

C12H24O — CID 106590631

IUPAC4-(2-cyclopropylethyl)heptan-4-ol
SMILESCCCC(O)(CCC)CCC1CC1
InChIInChI=1S/C12H24O/c1-3-8-12(13,9-4-2)10-7-11-5-6-11/h11,13H,3-10H2,1-2H3
InChIKeySHSAMVOXGFZXKQ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds7

About 4-(2-cyclopropylethyl)heptan-4-ol

4-(2-cyclopropylethyl)heptan-4-ol (PubChem CID 106590631) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)heptan-4-ol.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)heptan-4-ol
PubChem CID106590631
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-(2-cyclopropylethyl)heptan-4-ol
SMILESCCCC(O)(CCC)CCC1CC1
InChIInChI=1S/C12H24O/c1-3-8-12(13,9-4-2)10-7-11-5-6-11/h11,13H,3-10H2,1-2H3
InChIKeySHSAMVOXGFZXKQ-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-1-cyclopropylhexan-3-ol
CID 106590571
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
ethane;propane;propylcyclopropane
CID 145406182
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
[2-ethyl-2-hydroxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl] 2-methylprop-2-enoate
CID 145411469
butane-1,1,1-triol;hydrochloride
CID 140976874
hexane;pentylcyclopropane
CID 159592467
1,4-dipropylcyclohexane;pentane
CID 90867354
1-cyclopentyl-3-methyloctan-3-ol
CID 142057645
(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide
CID 89267071
12-propylpentadecane-1,12-diol
CID 146590856

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)heptan-4-ol?
The IUPAC name of 4-(2-cyclopropylethyl)heptan-4-ol (CID 106590631) is 4-(2-cyclopropylethyl)heptan-4-ol.
What is the SMILES notation for 4-(2-cyclopropylethyl)heptan-4-ol?
The canonical SMILES for 4-(2-cyclopropylethyl)heptan-4-ol is CCCC(O)(CCC)CCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethyl)heptan-4-ol?
The InChIKey is SHSAMVOXGFZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-8-12(13,9-4-2)10-7-11-5-6-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-(2-cyclopropylethyl)heptan-4-ol?
4-(2-cyclopropylethyl)heptan-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)heptan-4-ol is sourced from PubChem (CID 106590631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).