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

C18H32O — CID 101328467

IUPAC4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCCC1([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CCC(O)CC1
InChIInChI=1S/C18H32O/c1-5-18(10-7-14(19)8-11-18)15-12-13-6-9-17(15,4)16(13,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-,17+,18?/m0/s1
InChIKeyRJKALBFXGHWVKU-CVVXZKGHSA-N
MW264.45 g/mol
LogP4.78
Rot. Bonds2

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

4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 101328467) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID101328467
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCCC1([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CCC(O)CC1
InChIInChI=1S/C18H32O/c1-5-18(10-7-14(19)8-11-18)15-12-13-6-9-17(15,4)16(13,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-,17+,18?/m0/s1
InChIKeyRJKALBFXGHWVKU-CVVXZKGHSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352
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-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328525
3-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328466
2-ethyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328388
1-ethylbicyclo[2.2.0]hexane
CID 90977886
4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328421
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 101328467) is 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is CCC1([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CCC(O)CC1.
What is the InChIKey of 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is RJKALBFXGHWVKU-CVVXZKGHSA-N. The full InChI is InChI=1S/C18H32O/c1-5-18(10-7-14(19)8-11-18)15-12-13-6-9-17(15,4)16(13,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-,17+,18?/m0/s1.
What are the key properties of 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 101328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).