2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol

C10H18O — CID 57070767

IUPAC2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)C1CCC(O)C1(C)C
InChIInChI=1S/C10H18O/c1-7(2)8-5-6-9(11)10(8,3)4/h8-9,11H,1,5-6H2,2-4H3
InChIKeyHYDDRCVRUFEWMO-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol

2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 57070767) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID57070767
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)C1CCC(O)C1(C)C
InChIInChI=1S/C10H18O/c1-7(2)8-5-6-9(11)10(8,3)4/h8-9,11H,1,5-6H2,2-4H3
InChIKeyHYDDRCVRUFEWMO-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol (CID 57070767) is 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)C1CCC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is HYDDRCVRUFEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)8-5-6-9(11)10(8,3)4/h8-9,11H,1,5-6H2,2-4H3.
What are the key properties of 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol?
2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 57070767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).