(1R)-1-butyl-2-methylidenecycloheptane

C12H22 — CID 134979565

IUPAC(1R)-1-butyl-2-methylidenecycloheptane
SMILESC=C1CCCCC[C@H]1CCCC
InChIInChI=1S/C12H22/c1-3-4-9-12-10-7-5-6-8-11(12)2/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyAQAKIKYAKFNIPU-GFCCVEGCSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds3

About (1R)-1-butyl-2-methylidenecycloheptane

(1R)-1-butyl-2-methylidenecycloheptane (PubChem CID 134979565) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1R)-1-butyl-2-methylidenecycloheptane.

Molecular Properties

Compound Name(1R)-1-butyl-2-methylidenecycloheptane
PubChem CID134979565
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1R)-1-butyl-2-methylidenecycloheptane
SMILESC=C1CCCCC[C@H]1CCCC
InChIInChI=1S/C12H22/c1-3-4-9-12-10-7-5-6-8-11(12)2/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyAQAKIKYAKFNIPU-GFCCVEGCSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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

2,4-Dimethyl-1-heptene
CID 123385
1-Heptene, 2,6-dimethyl-
CID 76492
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166
1-Methyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 543757
3-Ethyl-2-methyl-1-heptene
CID 140588
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235
Nonane, 2-methyl-3-methylene-
CID 549980

Frequently Asked Questions

What is the IUPAC name of (1R)-1-butyl-2-methylidenecycloheptane?
The IUPAC name of (1R)-1-butyl-2-methylidenecycloheptane (CID 134979565) is (1R)-1-butyl-2-methylidenecycloheptane.
What is the SMILES notation for (1R)-1-butyl-2-methylidenecycloheptane?
The canonical SMILES for (1R)-1-butyl-2-methylidenecycloheptane is C=C1CCCCC[C@H]1CCCC.
What is the InChIKey of (1R)-1-butyl-2-methylidenecycloheptane?
The InChIKey is AQAKIKYAKFNIPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-9-12-10-7-5-6-8-11(12)2/h12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-butyl-2-methylidenecycloheptane?
(1R)-1-butyl-2-methylidenecycloheptane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-butyl-2-methylidenecycloheptane is sourced from PubChem (CID 134979565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).