4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol

C20H33ClO — CID 74051500

IUPAC4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol
SMILESC=C1CCC=C(C)CCC2C1CC2(C)CCC(O)C(C)(C)Cl
InChIInChI=1S/C20H33ClO/c1-14-7-6-8-15(2)16-13-20(5,17(16)10-9-14)12-11-18(22)19(3,4)21/h7,16-18,22H,2,6,8-13H2,1,3-5H3
InChIKeyMOARSUKXBXQYKA-UHFFFAOYSA-N
MW324.94 g/mol
LogP5.86
Rot. Bonds4

About 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol

4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol (PubChem CID 74051500) has the molecular formula C20H33ClO and a molecular weight of 324.94 g/mol. Its IUPAC name is 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol
PubChem CID74051500
Molecular FormulaC20H33ClO
Molecular Weight324.94 g/mol
Exact Mass324.22
IUPAC Name4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol
SMILESC=C1CCC=C(C)CCC2C1CC2(C)CCC(O)C(C)(C)Cl
InChIInChI=1S/C20H33ClO/c1-14-7-6-8-15(2)16-13-20(5,17(16)10-9-14)12-11-18(22)19(3,4)21/h7,16-18,22H,2,6,8-13H2,1,3-5H3
InChIKeyMOARSUKXBXQYKA-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.94
LogP ≤ 55.86
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'}

Analyze 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol with MolForge

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Related Compounds

[(1R,5Z,9R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol
CID 91747230
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one
CID 74076151
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
(1R,2R,6E,10R)-7,11,11-trimethyl-3-methylidenebicyclo[8.1.0]undec-6-en-2-ol
CID 14607006
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 162932484
(3aS,6E,10aS)-3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 101317804
4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
CID 162893224
(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
CID 171666166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol?
The IUPAC name of 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol (CID 74051500) is 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol.
What is the SMILES notation for 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol?
The canonical SMILES for 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol is C=C1CCC=C(C)CCC2C1CC2(C)CCC(O)C(C)(C)Cl.
What is the InChIKey of 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol?
The InChIKey is MOARSUKXBXQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33ClO/c1-14-7-6-8-15(2)16-13-20(5,17(16)10-9-14)12-11-18(22)19(3,4)21/h7,16-18,22H,2,6,8-13H2,1,3-5H3.
What are the key properties of 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol?
4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol has a molecular weight of 324.94 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol is sourced from PubChem (CID 74051500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).