1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane

C11H20 — CID 15579949

IUPAC1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC(C)C1CCC2(C)CC2C1
InChIInChI=1S/C11H20/c1-8(2)9-4-5-11(3)7-10(11)6-9/h8-10H,4-7H2,1-3H3
InChIKeyFPUCSLCMKDIHDO-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane

1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 15579949) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID15579949
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC(C)C1CCC2(C)CC2C1
InChIInChI=1S/C11H20/c1-8(2)9-4-5-11(3)7-10(11)6-9/h8-10H,4-7H2,1-3H3
InChIKeyFPUCSLCMKDIHDO-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 162873957
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1,4,4-trimethyl-2-[1-(6-methyl-3-bicyclo[4.1.0]heptanyl)ethoxy]-7-oxabicyclo[4.1.0]heptane
CID 143295927
(3R,4aS,5R,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 154723915
CID 174102089
CID 174102089
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
CID 157078538
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 14607137
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine
CID 139339152

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane (CID 15579949) is 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane is CC(C)C1CCC2(C)CC2C1.
What is the InChIKey of 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is FPUCSLCMKDIHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)9-4-5-11(3)7-10(11)6-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 15579949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).