1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol

C15H26O — CID 72700642

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(C2CC3CCC2C3)CC1
InChIInChI=1S/C15H26O/c1-2-11-5-7-15(16,8-6-11)14-10-12-3-4-13(14)9-12/h11-14,16H,2-10H2,1H3
InChIKeyUBNCVRBIJWFROP-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol

1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol (PubChem CID 72700642) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
PubChem CID72700642
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(C2CC3CCC2C3)CC1
InChIInChI=1S/C15H26O/c1-2-11-5-7-15(16,8-6-11)14-10-12-3-4-13(14)9-12/h11-14,16H,2-10H2,1H3
InChIKeyUBNCVRBIJWFROP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
CID 79550992
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-(2-ethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 63861268
1-[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]-N-methylmethanamine
CID 130494580
[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
CID 130494579

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol (CID 72700642) is 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol?
The InChIKey is UBNCVRBIJWFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-11-5-7-15(16,8-6-11)14-10-12-3-4-13(14)9-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol?
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 72700642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).