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

C10H16O — CID 101088244

IUPAC2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol
SMILESC=CCC1(O)CC=CC1(C)C
InChIInChI=1S/C10H16O/c1-4-6-10(11)8-5-7-9(10,2)3/h4-5,7,11H,1,6,8H2,2-3H3
InChIKeyNLXIQZPKKXPLIH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

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

2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol (PubChem CID 101088244) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol
PubChem CID101088244
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol
SMILESC=CCC1(O)CC=CC1(C)C
InChIInChI=1S/C10H16O/c1-4-6-10(11)8-5-7-9(10,2)3/h4-5,7,11H,1,6,8H2,2-3H3
InChIKeyNLXIQZPKKXPLIH-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
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-1-prop-2-enylcyclopent-3-en-1-ol?
The IUPAC name of 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol (CID 101088244) is 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol?
The canonical SMILES for 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol is C=CCC1(O)CC=CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol?
The InChIKey is NLXIQZPKKXPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-10(11)8-5-7-9(10,2)3/h4-5,7,11H,1,6,8H2,2-3H3.
What are the key properties of 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol?
2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-prop-2-enylcyclopent-3-en-1-ol is sourced from PubChem (CID 101088244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).