(4-methyl-1-bicyclo[2.2.2]octanyl)methanol

C10H18O — CID 13227648

IUPAC(4-methyl-1-bicyclo[2.2.2]octanyl)methanol
SMILESCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H18O/c1-9-2-5-10(8-11,6-3-9)7-4-9/h11H,2-8H2,1H3
InChIKeyUDNIMRNTWHDLKM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds1

About (4-methyl-1-bicyclo[2.2.2]octanyl)methanol

(4-methyl-1-bicyclo[2.2.2]octanyl)methanol (PubChem CID 13227648) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4-methyl-1-bicyclo[2.2.2]octanyl)methanol.

Molecular Properties

Compound Name(4-methyl-1-bicyclo[2.2.2]octanyl)methanol
PubChem CID13227648
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4-methyl-1-bicyclo[2.2.2]octanyl)methanol
SMILESCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H18O/c1-9-2-5-10(8-11,6-3-9)7-4-9/h11H,2-8H2,1H3
InChIKeyUDNIMRNTWHDLKM-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-bicyclo[2.2.2]octanyl)methanol?
The IUPAC name of (4-methyl-1-bicyclo[2.2.2]octanyl)methanol (CID 13227648) is (4-methyl-1-bicyclo[2.2.2]octanyl)methanol.
What is the SMILES notation for (4-methyl-1-bicyclo[2.2.2]octanyl)methanol?
The canonical SMILES for (4-methyl-1-bicyclo[2.2.2]octanyl)methanol is CC12CCC(CO)(CC1)CC2.
What is the InChIKey of (4-methyl-1-bicyclo[2.2.2]octanyl)methanol?
The InChIKey is UDNIMRNTWHDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9-2-5-10(8-11,6-3-9)7-4-9/h11H,2-8H2,1H3.
What are the key properties of (4-methyl-1-bicyclo[2.2.2]octanyl)methanol?
(4-methyl-1-bicyclo[2.2.2]octanyl)methanol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-bicyclo[2.2.2]octanyl)methanol is sourced from PubChem (CID 13227648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).