3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol

C12H20O — CID 79189480

IUPAC3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C12H20O/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h10-11,13H,1,3-8H2,2H3
InChIKeyYUPYRXWOHMNYIW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds2

About 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol

3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 79189480) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID79189480
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C12H20O/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h10-11,13H,1,3-8H2,2H3
InChIKeyYUPYRXWOHMNYIW-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
CID 64623842
3-cyclopropyl-1-(methylamino)cyclohexan-1-ol
CID 118556069
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol
CID 64624059
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
4-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 130035890
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
CID 64595245

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol (CID 79189480) is 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1(O)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is YUPYRXWOHMNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h10-11,13H,1,3-8H2,2H3.
What are the key properties of 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol?
3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79189480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).