1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol

C11H19ClO — CID 153378510

IUPAC1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1CCCC1(O)C(C)(C)Cl
InChIInChI=1S/C11H19ClO/c1-4-6-9-7-5-8-11(9,13)10(2,3)12/h4,9,13H,1,5-8H2,2-3H3
InChIKeyOQXGAYWKUKPBMH-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol

1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol (PubChem CID 153378510) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
PubChem CID153378510
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1CCCC1(O)C(C)(C)Cl
InChIInChI=1S/C11H19ClO/c1-4-6-9-7-5-8-11(9,13)10(2,3)12/h4,9,13H,1,5-8H2,2-3H3
InChIKeyOQXGAYWKUKPBMH-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
CID 70503780
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
CID 144805649
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
CID 103574067
1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 174583937
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate
CID 139497861
[(1S,2R)-1-ethynyl-2-prop-2-enylcyclohexyl] acetate
CID 102265725
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol?
The IUPAC name of 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol (CID 153378510) is 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol is C=CCC1CCCC1(O)C(C)(C)Cl.
What is the InChIKey of 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol?
The InChIKey is OQXGAYWKUKPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-4-6-9-7-5-8-11(9,13)10(2,3)12/h4,9,13H,1,5-8H2,2-3H3.
What are the key properties of 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol?
1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol has a molecular weight of 202.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 153378510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).