(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol

C11H20O2 — CID 59602233

IUPAC(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol
SMILESCC12CCC(C1)C(C)(C)C2OCO
InChIInChI=1S/C11H20O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyFXWGASZDBRAVNB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.17
Rot. Bonds2

About (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol (PubChem CID 59602233) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol.

Molecular Properties

Compound Name(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol
PubChem CID59602233
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol
SMILESCC12CCC(C1)C(C)(C)C2OCO
InChIInChI=1S/C11H20O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyFXWGASZDBRAVNB-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol?
The IUPAC name of (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol (CID 59602233) is (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol.
What is the SMILES notation for (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol?
The canonical SMILES for (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol is CC12CCC(C1)C(C)(C)C2OCO.
What is the InChIKey of (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol?
The InChIKey is FXWGASZDBRAVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol?
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol has a molecular weight of 184.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol is sourced from PubChem (CID 59602233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).