(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene

C13H21Cl — CID 174043737

IUPAC(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene
SMILESCC1=C(Cl)[C@H](C)C2CCC2(C)C(C)C1
InChIInChI=1S/C13H21Cl/c1-8-7-9(2)13(4)6-5-11(13)10(3)12(8)14/h9-11H,5-7H2,1-4H3/t9?,10-,11?,13?/m1/s1
InChIKeyHZXADAOBWGBQMO-AQICRGNOSA-N
MW212.76 g/mol
LogP4.59
Rot. Bonds

About (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene

(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene (PubChem CID 174043737) has the molecular formula C13H21Cl and a molecular weight of 212.76 g/mol. Its IUPAC name is (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene.

Molecular Properties

Compound Name(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene
PubChem CID174043737
Molecular FormulaC13H21Cl
Molecular Weight212.76 g/mol
Exact Mass212.13
IUPAC Name(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene
SMILESCC1=C(Cl)[C@H](C)C2CCC2(C)C(C)C1
InChIInChI=1S/C13H21Cl/c1-8-7-9(2)13(4)6-5-11(13)10(3)12(8)14/h9-11H,5-7H2,1-4H3/t9?,10-,11?,13?/m1/s1
InChIKeyHZXADAOBWGBQMO-AQICRGNOSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.76
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,10R,13R,17S)-3,7,10,13,17-pentamethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 58770124
(3S,5S,8R,9S,10S,13S,14S)-17-chloro-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbaldehyde
CID 58356540
2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline
CID 22949086
3-iodo-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142315351
10-hydroxy-1,4,13,17-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-id-3-one;yttrium(3+)
CID 21023475
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
(8R,9S,10R,13S,14S)-17-hydroxy-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 57346149
(4S,5R,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 99571796
5b,8,11a-trimethyl-1,2,3,3a,4,5,5a,6,7,7a,8,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-9-one
CID 126738157
3,4-dimethyl-2-thiabicyclo[2.2.0]hexane
CID 123792022
(3R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(5S,8R,9S,10S,13R,14S)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide
CID 170270557
(3R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide
CID 166678126

Frequently Asked Questions

What is the IUPAC name of (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene?
The IUPAC name of (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene (CID 174043737) is (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene.
What is the SMILES notation for (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene?
The canonical SMILES for (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene is CC1=C(Cl)[C@H](C)C2CCC2(C)C(C)C1.
What is the InChIKey of (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene?
The InChIKey is HZXADAOBWGBQMO-AQICRGNOSA-N. The full InChI is InChI=1S/C13H21Cl/c1-8-7-9(2)13(4)6-5-11(13)10(3)12(8)14/h9-11H,5-7H2,1-4H3/t9?,10-,11?,13?/m1/s1.
What are the key properties of (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene?
(2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene has a molecular weight of 212.76 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-chloro-2,4,6,7-tetramethylbicyclo[5.2.0]non-3-ene is sourced from PubChem (CID 174043737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).