(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol

C15H24O — CID 138980966

IUPAC(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol
SMILESC=CC1(C)CCC2CC1C(C)=CC2(C)CO
InChIInChI=1S/C15H24O/c1-5-14(3)7-6-12-8-13(14)11(2)9-15(12,4)10-16/h5,9,12-13,16H,1,6-8,10H2,2-4H3
InChIKeyYBLVXRDHSFXIQO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds2

About (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol

(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol (PubChem CID 138980966) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol.

Molecular Properties

Compound Name(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol
PubChem CID138980966
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol
SMILESC=CC1(C)CCC2CC1C(C)=CC2(C)CO
InChIInChI=1S/C15H24O/c1-5-14(3)7-6-12-8-13(14)11(2)9-15(12,4)10-16/h5,9,12-13,16H,1,6-8,10H2,2-4H3
InChIKeyYBLVXRDHSFXIQO-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene
CID 163113446
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(1R,2R,5S,6S)-6-(hydroxymethyl)-2-methyl-6-prop-2-enylbicyclo[3.1.1]heptan-2-ol
CID 11851344
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
CID 11357317
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol
CID 42636546
(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
CID 22297478
3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene
CID 605018
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(1S,2R,4aS,4bR,7R,8aR,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4b,7-trimethyl-2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-2,10a-diol
CID 101320285

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol?
The IUPAC name of (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol (CID 138980966) is (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol.
What is the SMILES notation for (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol?
The canonical SMILES for (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol is C=CC1(C)CCC2CC1C(C)=CC2(C)CO.
What is the InChIKey of (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol?
The InChIKey is YBLVXRDHSFXIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-14(3)7-6-12-8-13(14)11(2)9-15(12,4)10-16/h5,9,12-13,16H,1,6-8,10H2,2-4H3.
What are the key properties of (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol?
(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol is sourced from PubChem (CID 138980966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).