(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane

C15H24 — CID 101379953

IUPAC(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane
SMILESC=C[C@@]1(C)CC[C@@H]2C(C)(C)C[C@@]21C(=C)C
InChIInChI=1S/C15H24/c1-7-14(6)9-8-12-13(4,5)10-15(12,14)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,14+,15-/m1/s1
InChIKeyUAOBSVDFJSNTLJ-VHDGCEQUSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds2

About (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane

(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane (PubChem CID 101379953) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane
PubChem CID101379953
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane
SMILESC=C[C@@]1(C)CC[C@@H]2C(C)(C)C[C@@]21C(=C)C
InChIInChI=1S/C15H24/c1-7-14(6)9-8-12-13(4,5)10-15(12,14)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,14+,15-/m1/s1
InChIKeyUAOBSVDFJSNTLJ-VHDGCEQUSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 10857067
1-ethenyl-1-methyl-2,2-bis(prop-1-en-2-yl)cyclohexane
CID 173318053
(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 177272316
(4aS,7S,8aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
CID 91746481
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
2-[(1R,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]prop-2-enal
CID 15143900
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
6-ethenyl-2,2,6-trimethylbicyclo[3.1.0]hexan-1-amine
CID 163711052
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(3S,4aS,10aR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 10039893
(4aR,8aR)-1-ethenyl-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol;carbon dioxide
CID 157304602

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane?
The IUPAC name of (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane (CID 101379953) is (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane?
The canonical SMILES for (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane is C=C[C@@]1(C)CC[C@@H]2C(C)(C)C[C@@]21C(=C)C.
What is the InChIKey of (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane?
The InChIKey is UAOBSVDFJSNTLJ-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H24/c1-7-14(6)9-8-12-13(4,5)10-15(12,14)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,14+,15-/m1/s1.
What are the key properties of (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane?
(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane has a molecular weight of 204.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane is sourced from PubChem (CID 101379953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).