(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

C10H18O — CID 21116181

IUPAC(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESC[C@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyWHXOMZVLSNHION-KZVJFYERSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds

About (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 21116181) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID21116181
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESC[C@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyWHXOMZVLSNHION-KZVJFYERSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol with MolForge

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Related Compounds

2-tert-Butyl-4-methylcyclohexanol
CID 106739
2-Tert-butyl-5-methylcyclohexanol
CID 137834
Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CID 2782298
3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
CID 142315
(1R*,2S*,3S*,6S*)-2-Caranol
CID 536562
4,7,7-Trimethylbicyclo(4.1.0)heptan-3-ol
CID 86056
Bicyclo[4.1.0]heptan-2-ol, 4,7,7-trimethyl-
CID 564727
Avermitilol
CID 56927933
3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
CID 89242
(1S,3R,4R,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
CID 10057951
(1S,3S,4R,6R)-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol
CID 12527626
Trimethyl hydroxymethyl cyclohexanol
CID 23443040

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CID 21116181) is (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is C[C@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C.
What is the InChIKey of (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is WHXOMZVLSNHION-KZVJFYERSA-N. The full InChI is InChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1.
What are the key properties of (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
(1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 21116181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).