4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol

C13H22O — CID 89145289

IUPAC4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC1CC2C3CC(C)(O)C(C)(C3)C2C1
InChIInChI=1S/C13H22O/c1-8-4-10-9-6-12(2,11(10)5-8)13(3,14)7-9/h8-11,14H,4-7H2,1-3H3
InChIKeyVEFAQPXGHXVVPF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.83
Rot. Bonds

About 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol

4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 89145289) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID89145289
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCC1CC2C3CC(C)(O)C(C)(C3)C2C1
InChIInChI=1S/C13H22O/c1-8-4-10-9-6-12(2,11(10)5-8)13(3,14)7-9/h8-11,14H,4-7H2,1-3H3
InChIKeyVEFAQPXGHXVVPF-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol (CID 89145289) is 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol is CC1CC2C3CC(C)(O)C(C)(C3)C2C1.
What is the InChIKey of 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is VEFAQPXGHXVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-8-4-10-9-6-12(2,11(10)5-8)13(3,14)7-9/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol?
4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 194.32 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 89145289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).