3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

C19H34O — CID 139695921

IUPAC3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
SMILESCCC1C2CC(CC2C2CCCC(O)C2)C1(CC)CC
InChIInChI=1S/C19H34O/c1-4-18-17-12-14(19(18,5-2)6-3)11-16(17)13-8-7-9-15(20)10-13/h13-18,20H,4-12H2,1-3H3
InChIKeyITWSBJGQWJTYNC-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.03
Rot. Bonds4

About 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol (PubChem CID 139695921) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
PubChem CID139695921
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
SMILESCCC1C2CC(CC2C2CCCC(O)C2)C1(CC)CC
InChIInChI=1S/C19H34O/c1-4-18-17-12-14(19(18,5-2)6-3)11-16(17)13-8-7-9-15(20)10-13/h13-18,20H,4-12H2,1-3H3
InChIKeyITWSBJGQWJTYNC-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,3R)-3-[(1R,2S,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 34174776
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
2-(3-hydroxycyclohexyl)cyclohexan-1-ol
CID 139824914
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
7,7-diethylbicyclo[3.2.0]heptan-6-ol
CID 81421329
cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 98363893
3-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexan-1-ol;hypobromous acid
CID 142004592
(8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57368410
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744

Frequently Asked Questions

What is the IUPAC name of 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The IUPAC name of 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol (CID 139695921) is 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The canonical SMILES for 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol is CCC1C2CC(CC2C2CCCC(O)C2)C1(CC)CC.
What is the InChIKey of 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The InChIKey is ITWSBJGQWJTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-4-18-17-12-14(19(18,5-2)6-3)11-16(17)13-8-7-9-15(20)10-13/h13-18,20H,4-12H2,1-3H3.
What are the key properties of 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol has a molecular weight of 278.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,6-triethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol is sourced from PubChem (CID 139695921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).