(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane

C15H24 — CID 91746561

IUPAC(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
SMILESC=C[C@]1(C)CC[C@H]2[C@@H]([C@H]1C(=C)C)C2(C)C
InChIInChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m0/s1
InChIKeyLKQMMFFQYMYQOJ-SFDCQRBFSA-N
MW204.36 g/mol
LogP4.44
Rot. Bonds2

About (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane

(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane (PubChem CID 91746561) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
PubChem CID91746561
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
SMILESC=C[C@]1(C)CC[C@H]2[C@@H]([C@H]1C(=C)C)C2(C)C
InChIInChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m0/s1
InChIKeyLKQMMFFQYMYQOJ-SFDCQRBFSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane (CID 91746561) is (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane is C=C[C@]1(C)CC[C@H]2[C@@H]([C@H]1C(=C)C)C2(C)C.
What is the InChIKey of (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane?
The InChIKey is LKQMMFFQYMYQOJ-SFDCQRBFSA-N. The full InChI is InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m0/s1.
What are the key properties of (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane?
(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane has a molecular weight of 204.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 91746561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).