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

C18H32O — CID 101328525

IUPAC2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCCC1CCCCC1(O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H32O/c1-5-13-8-6-7-10-18(13,19)15-12-14-9-11-17(15,4)16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13?,14-,15-,17+,18?/m1/s1
InChIKeyGOZDLUPVYAXKLG-KFHUCXJESA-N
MW264.45 g/mol
LogP4.78
Rot. Bonds2

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

2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 101328525) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID101328525
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESCCC1CCCCC1(O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H32O/c1-5-13-8-6-7-10-18(13,19)15-12-14-9-11-17(15,4)16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13?,14-,15-,17+,18?/m1/s1
InChIKeyGOZDLUPVYAXKLG-KFHUCXJESA-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 2-ethyl-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-(4-ethylcyclohexyl)cyclohexan-1-ol
CID 64748782
2-ethyl-1-(4-methylcyclohexyl)cyclohexan-1-ol
CID 64749951
3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328507
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328467
2-ethyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328388
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659
2-methyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328376
2-ethyl-1-prop-1-ynylcyclohexan-1-ol
CID 126977532

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 101328525) is 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is CCC1CCCCC1(O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is GOZDLUPVYAXKLG-KFHUCXJESA-N. The full InChI is InChI=1S/C18H32O/c1-5-13-8-6-7-10-18(13,19)15-12-14-9-11-17(15,4)16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13?,14-,15-,17+,18?/m1/s1.
What are the key properties of 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
2-ethyl-1-[(1S,2R,4R)-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 2-ethyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 101328525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).