1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C17H30O — CID 114245728

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(C2CC3CCC2C3)C1
InChIInChI=1S/C17H30O/c1-11(2)15-7-4-12(3)10-17(15,18)16-9-13-5-6-14(16)8-13/h11-16,18H,4-10H2,1-3H3
InChIKeyPNONMJJXTIBRSR-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.25
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 114245728) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID114245728
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(C2CC3CCC2C3)C1
InChIInChI=1S/C17H30O/c1-11(2)15-7-4-12(3)10-17(15,18)16-9-13-5-6-14(16)8-13/h11-16,18H,4-10H2,1-3H3
InChIKeyPNONMJJXTIBRSR-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
CID 116516687
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79559180
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 45096322
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 118516265
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 114245728) is 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is PNONMJJXTIBRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-11(2)15-7-4-12(3)10-17(15,18)16-9-13-5-6-14(16)8-13/h11-16,18H,4-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.25, 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)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114245728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).