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

C11H20O2 — CID 59057770

IUPAC(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCOC1C[C@@H]2[C@H](CC1(C)O)C2(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7-5-9(13-4)11(3,12)6-8(7)10/h7-9,12H,5-6H2,1-4H3/t7-,8+,9?,11?/m1/s1
InChIKeyPAKVWJXCMMKYGQ-KZNVNZARSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds1

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

(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 59057770) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID59057770
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCOC1C[C@@H]2[C@H](CC1(C)O)C2(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7-5-9(13-4)11(3,12)6-8(7)10/h7-9,12H,5-6H2,1-4H3/t7-,8+,9?,11?/m1/s1
InChIKeyPAKVWJXCMMKYGQ-KZNVNZARSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,4R,6R)-3,7,7-trimethyl-4-trimethylsilyloxybicyclo[4.1.0]heptan-3-ol
CID 11139315
(1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 3073844
4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 72796713
(2S,3S,5S,8R,9R,10S,13S,14S)-2-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 138552108
(4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) 3,5-dinitrobenzoate
CID 4259349
[(3R,4R)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 3,5-dinitrobenzoate
CID 45033559
[(1R,3R,4R,6R)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 2-bromobenzoate
CID 98131304
[(1S,3R,4R,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 2-bromobenzoate
CID 98131303
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 7076969
1-(3-hydroxy-2-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 123798007
1-N,3-N-dihydroxy-5-[[(3R,4R)-4-methoxy-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]oxycarbonyl]benzene-1,3-diamine oxide
CID 163135207

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CID 59057770) is (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is COC1C[C@@H]2[C@H](CC1(C)O)C2(C)C.
What is the InChIKey of (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is PAKVWJXCMMKYGQ-KZNVNZARSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-5-9(13-4)11(3,12)6-8(7)10/h7-9,12H,5-6H2,1-4H3/t7-,8+,9?,11?/m1/s1.
What are the key properties of (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 59057770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).