1-[(2R)-butan-2-yl]cyclohexene

C10H18 — CID 13107632

IUPAC1-[(2R)-butan-2-yl]cyclohexene
SMILESCC[C@@H](C)C1=CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyIOERJMOJJLOARF-SECBINFHSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds2

About 1-[(2R)-butan-2-yl]cyclohexene

1-[(2R)-butan-2-yl]cyclohexene (PubChem CID 13107632) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]cyclohexene.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]cyclohexene
PubChem CID13107632
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-[(2R)-butan-2-yl]cyclohexene
SMILESCC[C@@H](C)C1=CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyIOERJMOJJLOARF-SECBINFHSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentan-2-ylcyclopentene
CID 21242449
3-(cycloocten-1-yl)butanoic acid
CID 154246117
1-(1-iodoethyl)cyclohexene
CID 126621262
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
2-(cyclohexen-1-yl)-3-ethyl-N-(2-methylpropyl)pentan-1-amine
CID 116662399
3-(cycloocten-1-yl)pentanenitrile
CID 154231567
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]cyclohexene?
The IUPAC name of 1-[(2R)-butan-2-yl]cyclohexene (CID 13107632) is 1-[(2R)-butan-2-yl]cyclohexene.
What is the SMILES notation for 1-[(2R)-butan-2-yl]cyclohexene?
The canonical SMILES for 1-[(2R)-butan-2-yl]cyclohexene is CC[C@@H](C)C1=CCCCC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]cyclohexene?
The InChIKey is IOERJMOJJLOARF-SECBINFHSA-N. The full InChI is InChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]cyclohexene?
1-[(2R)-butan-2-yl]cyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]cyclohexene is sourced from PubChem (CID 13107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).