3-(2-methylprop-2-enyl)cycloheptan-1-ol

C11H20O — CID 79185632

IUPAC3-(2-methylprop-2-enyl)cycloheptan-1-ol
SMILESC=C(C)CC1CCCCC(O)C1
InChIInChI=1S/C11H20O/c1-9(2)7-10-5-3-4-6-11(12)8-10/h10-12H,1,3-8H2,2H3
InChIKeyOWWGUPZRSSTIDL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 3-(2-methylprop-2-enyl)cycloheptan-1-ol

3-(2-methylprop-2-enyl)cycloheptan-1-ol (PubChem CID 79185632) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)cycloheptan-1-ol
PubChem CID79185632
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-(2-methylprop-2-enyl)cycloheptan-1-ol
SMILESC=C(C)CC1CCCCC(O)C1
InChIInChI=1S/C11H20O/c1-9(2)7-10-5-3-4-6-11(12)8-10/h10-12H,1,3-8H2,2H3
InChIKeyOWWGUPZRSSTIDL-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)cycloheptan-1-ol?
The IUPAC name of 3-(2-methylprop-2-enyl)cycloheptan-1-ol (CID 79185632) is 3-(2-methylprop-2-enyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2-methylprop-2-enyl)cycloheptan-1-ol?
The canonical SMILES for 3-(2-methylprop-2-enyl)cycloheptan-1-ol is C=C(C)CC1CCCCC(O)C1.
What is the InChIKey of 3-(2-methylprop-2-enyl)cycloheptan-1-ol?
The InChIKey is OWWGUPZRSSTIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-10-5-3-4-6-11(12)8-10/h10-12H,1,3-8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)cycloheptan-1-ol?
3-(2-methylprop-2-enyl)cycloheptan-1-ol has a molecular weight of 168.28 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-(2-methylprop-2-enyl)cycloheptan-1-ol is sourced from PubChem (CID 79185632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).