3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol

C15H24O2 — CID 59068251

IUPAC3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol
SMILESC=CCC1(O)C(O)(C=C)C2CCC1(C)C2(C)C
InChIInChI=1S/C15H24O2/c1-6-9-15(17)13(5)10-8-11(12(13,3)4)14(15,16)7-2/h6-7,11,16-17H,1-2,8-10H2,3-5H3
InChIKeyRTNXWFUUWRGUMP-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds3

About 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol

3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol (PubChem CID 59068251) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol
PubChem CID59068251
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol
SMILESC=CCC1(O)C(O)(C=C)C2CCC1(C)C2(C)C
InChIInChI=1S/C15H24O2/c1-6-9-15(17)13(5)10-8-11(12(13,3)4)14(15,16)7-2/h6-7,11,16-17H,1-2,8-10H2,3-5H3
InChIKeyRTNXWFUUWRGUMP-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo[2.2.1]heptan-2-ol, 2-allyl-1,7,7-trimethyl-
CID 4918971
Vinylborneol
CID 14811557
(1R,2R,4R)-1,7,7-Trimethyl-2-(2-propen-1-yl)bicyclo(2.2.1)heptan-2-ol
CID 1506016
2,3-Bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 22967276
2-But-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68836192
(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 134894978
2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 134964190
(1S,4S)-2-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 135041632
(1R,2R,4S)-2-ethenyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 14811582
(1R,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11105962
(1S,2S,4R)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 23376246
(1S,2R,4R)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 68837229

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol (CID 59068251) is 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol is C=CCC1(O)C(O)(C=C)C2CCC1(C)C2(C)C.
What is the InChIKey of 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is RTNXWFUUWRGUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-9-15(17)13(5)10-8-11(12(13,3)4)14(15,16)7-2/h6-7,11,16-17H,1-2,8-10H2,3-5H3.
What are the key properties of 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol?
3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 59068251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).