(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene

C12H20 — CID 170636169

IUPAC(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene
SMILESC=C1C[C@H]([C@@H](C)CC)C(C)=C1C
InChIInChI=1S/C12H20/c1-6-8(2)12-7-9(3)10(4)11(12)5/h8,12H,3,6-7H2,1-2,4-5H3/t8-,12+/m0/s1
InChIKeyLLHNSQFPTZLSTA-QPUJVOFHSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene

(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene (PubChem CID 170636169) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene.

Molecular Properties

Compound Name(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene
PubChem CID170636169
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene
SMILESC=C1C[C@H]([C@@H](C)CC)C(C)=C1C
InChIInChI=1S/C12H20/c1-6-8(2)12-7-9(3)10(4)11(12)5/h8,12H,3,6-7H2,1-2,4-5H3/t8-,12+/m0/s1
InChIKeyLLHNSQFPTZLSTA-QPUJVOFHSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-2-methylidenecyclohexane
CID 123953044
2-butan-2-yl-4-methylidenecyclopentan-1-one
CID 129266457
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
5-butan-2-yl-1,2,3-trimethylcyclohexene
CID 58856701
3,5-di(butan-2-yl)cyclohexane-1,2-dione
CID 24973311
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
3-butan-2-yl-1-methylcyclopropene
CID 123179212
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
(2S)-2-[(2S)-butan-2-yl]-4-(hydroxymethyl)cyclohexan-1-one
CID 175915940
2-butan-2-yl-1-(chloromethylidene)-4-cyclobutylidenecycloheptane
CID 123493094

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene?
The IUPAC name of (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene (CID 170636169) is (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene.
What is the SMILES notation for (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene?
The canonical SMILES for (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene is C=C1C[C@H]([C@@H](C)CC)C(C)=C1C.
What is the InChIKey of (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene?
The InChIKey is LLHNSQFPTZLSTA-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H20/c1-6-8(2)12-7-9(3)10(4)11(12)5/h8,12H,3,6-7H2,1-2,4-5H3/t8-,12+/m0/s1.
What are the key properties of (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene?
(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene is sourced from PubChem (CID 170636169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).