3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

C17H30O — CID 101328507

IUPAC3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCC1CCCC(O)([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1
InChIInChI=1S/C17H30O/c1-12-6-5-8-17(18,11-12)14-10-13-7-9-16(14,4)15(13,2)3/h12-14,18H,5-11H2,1-4H3/t12?,13-,14-,16+,17?/m1/s1
InChIKeyNMSKQUPBGAIDSL-GMEKZAAPSA-N
MW250.43 g/mol
LogP4.39
Rot. Bonds1

About 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 101328507) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID101328507
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCC1CCCC(O)([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1
InChIInChI=1S/C17H30O/c1-12-6-5-8-17(18,11-12)14-10-13-7-9-16(14,4)15(13,2)3/h12-14,18H,5-11H2,1-4H3/t12?,13-,14-,16+,17?/m1/s1
InChIKeyNMSKQUPBGAIDSL-GMEKZAAPSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328525
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328467
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
2-methyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328376
4-methyl-4-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328387
4-methyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328362
(1S)-1-ethynyl-3-methylcyclohexan-1-ol
CID 134930490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 101328507) is 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is CC1CCCC(O)([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1.
What is the InChIKey of 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is NMSKQUPBGAIDSL-GMEKZAAPSA-N. The full InChI is InChI=1S/C17H30O/c1-12-6-5-8-17(18,11-12)14-10-13-7-9-16(14,4)15(13,2)3/h12-14,18H,5-11H2,1-4H3/t12?,13-,14-,16+,17?/m1/s1.
What are the key properties of 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 101328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).