2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol

C13H24O — CID 67950573

IUPAC2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol
SMILESCCC(CO)CC1C2CCC(C2)C1C
InChIInChI=1S/C13H24O/c1-3-10(8-14)6-13-9(2)11-4-5-12(13)7-11/h9-14H,3-8H2,1-2H3
InChIKeyZAJOWQJQBYIUQR-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.08
Rot. Bonds4

About 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol

2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol (PubChem CID 67950573) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol
PubChem CID67950573
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol
SMILESCCC(CO)CC1C2CCC(C2)C1C
InChIInChI=1S/C13H24O/c1-3-10(8-14)6-13-9(2)11-4-5-12(13)7-11/h9-14H,3-8H2,1-2H3
InChIKeyZAJOWQJQBYIUQR-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol?
The IUPAC name of 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol (CID 67950573) is 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol is CCC(CO)CC1C2CCC(C2)C1C.
What is the InChIKey of 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol?
The InChIKey is ZAJOWQJQBYIUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-10(8-14)6-13-9(2)11-4-5-12(13)7-11/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol?
2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol is sourced from PubChem (CID 67950573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).