(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol

C11H20O — CID 131156042

IUPAC(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
SMILESCC(C)[C@H]1CC[C@]2(C)CC2[C@H]1O
InChIInChI=1S/C11H20O/c1-7(2)8-4-5-11(3)6-9(11)10(8)12/h7-10,12H,4-6H2,1-3H3/t8-,9?,10+,11-/m1/s1
InChIKeyPGVYZBYKGMNBLO-TVTJGUELSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds1

About (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol

(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol (PubChem CID 131156042) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
PubChem CID131156042
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
SMILESCC(C)[C@H]1CC[C@]2(C)CC2[C@H]1O
InChIInChI=1S/C11H20O/c1-7(2)8-4-5-11(3)6-9(11)10(8)12/h7-10,12H,4-6H2,1-3H3/t8-,9?,10+,11-/m1/s1
InChIKeyPGVYZBYKGMNBLO-TVTJGUELSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 134302475
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
(1R,2S,3R,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
CID 162917025
(1S,4R)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
CID 146157343
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1S,2R,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
CID 101006297
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 85446360
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
(1R,2R,4aS,5S,6S,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2,5-triol
CID 11994819

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol (CID 131156042) is (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol is CC(C)[C@H]1CC[C@]2(C)CC2[C@H]1O.
What is the InChIKey of (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is PGVYZBYKGMNBLO-TVTJGUELSA-N. The full InChI is InChI=1S/C11H20O/c1-7(2)8-4-5-11(3)6-9(11)10(8)12/h7-10,12H,4-6H2,1-3H3/t8-,9?,10+,11-/m1/s1.
What are the key properties of (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol?
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 131156042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).