(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane

C18H32 — CID 163683133

IUPAC(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
SMILESCC1CCCCC1C1CCC[C@@H](C2CCC2)CC1
InChIInChI=1S/C18H32/c1-14-6-2-3-11-18(14)17-10-5-9-16(12-13-17)15-7-4-8-15/h14-18H,2-13H2,1H3/t14?,16-,17?,18?/m1/s1
InChIKeyJMNHCYHMPZNMRR-IBZCDOPMSA-N
MW248.45 g/mol
LogP5.81
Rot. Bonds2

About (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane

(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane (PubChem CID 163683133) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane.

Molecular Properties

Compound Name(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
PubChem CID163683133
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
SMILESCC1CCCCC1C1CCC[C@@H](C2CCC2)CC1
InChIInChI=1S/C18H32/c1-14-6-2-3-11-18(14)17-10-5-9-16(12-13-17)15-7-4-8-15/h14-18H,2-13H2,1H3/t14?,16-,17?,18?/m1/s1
InChIKeyJMNHCYHMPZNMRR-IBZCDOPMSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142300008
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane?
The IUPAC name of (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane (CID 163683133) is (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane.
What is the SMILES notation for (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane?
The canonical SMILES for (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane is CC1CCCCC1C1CCC[C@@H](C2CCC2)CC1.
What is the InChIKey of (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane?
The InChIKey is JMNHCYHMPZNMRR-IBZCDOPMSA-N. The full InChI is InChI=1S/C18H32/c1-14-6-2-3-11-18(14)17-10-5-9-16(12-13-17)15-7-4-8-15/h14-18H,2-13H2,1H3/t14?,16-,17?,18?/m1/s1.
What are the key properties of (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane?
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane has a molecular weight of 248.45 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane is sourced from PubChem (CID 163683133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).