2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol

C15H24O — CID 527246

IUPAC2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol
SMILESC=C1C2CC(O)C(C)C23CCC(C3)C1(C)C
InChIInChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3
InChIKeyJZLOTPMXLYBVOH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol

2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol (PubChem CID 527246) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol.

Molecular Properties

Compound Name2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol
PubChem CID527246
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol
SMILESC=C1C2CC(O)C(C)C23CCC(C3)C1(C)C
InChIInChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3
InChIKeyJZLOTPMXLYBVOH-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol?
The IUPAC name of 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol (CID 527246) is 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol.
What is the SMILES notation for 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol?
The canonical SMILES for 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol is C=C1C2CC(O)C(C)C23CCC(C3)C1(C)C.
What is the InChIKey of 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol?
The InChIKey is JZLOTPMXLYBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3.
What are the key properties of 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol?
2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol is sourced from PubChem (CID 527246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).