3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol

C15H22O — CID 66880149

IUPAC3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol
SMILESCC(=CC1CC2CC1C1CC=CC21)C(C)O
InChIInChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3-4,6,10-16H,5,7-8H2,1-2H3
InChIKeyMHGHARBRHYWODA-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol

3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol (PubChem CID 66880149) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol
PubChem CID66880149
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol
SMILESCC(=CC1CC2CC1C1CC=CC21)C(C)O
InChIInChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3-4,6,10-16H,5,7-8H2,1-2H3
InChIKeyMHGHARBRHYWODA-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.16
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 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol?
The IUPAC name of 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol (CID 66880149) is 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol.
What is the SMILES notation for 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol?
The canonical SMILES for 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol is CC(=CC1CC2CC1C1CC=CC21)C(C)O.
What is the InChIKey of 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol?
The InChIKey is MHGHARBRHYWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3-4,6,10-16H,5,7-8H2,1-2H3.
What are the key properties of 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol?
3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol is sourced from PubChem (CID 66880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).