(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane

C11H20 — CID 143658128

IUPAC(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12
InChIInChI=1S/C11H20/c1-7(2)9-5-4-8(3)10-6-11(9)10/h7-11H,4-6H2,1-3H3/t8?,9-,10+,11-/m0/s1
InChIKeyBMHRGXIAXZUMQR-GYIHNLGQSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds1

About (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane

(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 143658128) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID143658128
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12
InChIInChI=1S/C11H20/c1-7(2)9-5-4-8(3)10-6-11(9)10/h7-11H,4-6H2,1-3H3/t8?,9-,10+,11-/m0/s1
InChIKeyBMHRGXIAXZUMQR-GYIHNLGQSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658127
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(1S,2R,4R)-2-cyclopenta-2,4-dien-1-yl-4-methyl-1-propan-2-ylcyclohexane
CID 15360728
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane (CID 143658128) is (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane is CC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12.
What is the InChIKey of (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is BMHRGXIAXZUMQR-GYIHNLGQSA-N. The full InChI is InChI=1S/C11H20/c1-7(2)9-5-4-8(3)10-6-11(9)10/h7-11H,4-6H2,1-3H3/t8?,9-,10+,11-/m0/s1.
What are the key properties of (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 143658128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).