(3R)-2,3-dimethylbicyclo[3.2.0]heptane

C9H16 — CID 154561320

IUPAC(3R)-2,3-dimethylbicyclo[3.2.0]heptane
SMILESCC1C2CCC2C[C@H]1C
InChIInChI=1S/C9H16/c1-6-5-8-3-4-9(8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyMYAQSNDWKBSHKE-LJSVPSOQSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds

About (3R)-2,3-dimethylbicyclo[3.2.0]heptane

(3R)-2,3-dimethylbicyclo[3.2.0]heptane (PubChem CID 154561320) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3R)-2,3-dimethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(3R)-2,3-dimethylbicyclo[3.2.0]heptane
PubChem CID154561320
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3R)-2,3-dimethylbicyclo[3.2.0]heptane
SMILESCC1C2CCC2C[C@H]1C
InChIInChI=1S/C9H16/c1-6-5-8-3-4-9(8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyMYAQSNDWKBSHKE-LJSVPSOQSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(3aR,7aS)-2,4,5-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91357459
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
CID 90804834
1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123269209
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylbicyclo[3.2.0]heptane?
The IUPAC name of (3R)-2,3-dimethylbicyclo[3.2.0]heptane (CID 154561320) is (3R)-2,3-dimethylbicyclo[3.2.0]heptane.
What is the SMILES notation for (3R)-2,3-dimethylbicyclo[3.2.0]heptane?
The canonical SMILES for (3R)-2,3-dimethylbicyclo[3.2.0]heptane is CC1C2CCC2C[C@H]1C.
What is the InChIKey of (3R)-2,3-dimethylbicyclo[3.2.0]heptane?
The InChIKey is MYAQSNDWKBSHKE-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H16/c1-6-5-8-3-4-9(8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (3R)-2,3-dimethylbicyclo[3.2.0]heptane?
(3R)-2,3-dimethylbicyclo[3.2.0]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 154561320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).