(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene

C15H24 — CID 142205485

IUPAC(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene
SMILESC=C(C)C1=C(C)[C@@H]2C[C@]2(C)C(C)(CC)C1
InChIInChI=1S/C15H24/c1-7-14(5)8-12(10(2)3)11(4)13-9-15(13,14)6/h13H,2,7-9H2,1,3-6H3/t13-,14?,15-/m0/s1
InChIKeyDXTJWEYZHBREPC-LWEDLAQUSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds2

About (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene

(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene (PubChem CID 142205485) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene
PubChem CID142205485
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene
SMILESC=C(C)C1=C(C)[C@@H]2C[C@]2(C)C(C)(CC)C1
InChIInChI=1S/C15H24/c1-7-14(5)8-12(10(2)3)11(4)13-9-15(13,14)6/h13H,2,7-9H2,1,3-6H3/t13-,14?,15-/m0/s1
InChIKeyDXTJWEYZHBREPC-LWEDLAQUSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene (CID 142205485) is (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene is C=C(C)C1=C(C)[C@@H]2C[C@]2(C)C(C)(CC)C1.
What is the InChIKey of (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene?
The InChIKey is DXTJWEYZHBREPC-LWEDLAQUSA-N. The full InChI is InChI=1S/C15H24/c1-7-14(5)8-12(10(2)3)11(4)13-9-15(13,14)6/h13H,2,7-9H2,1,3-6H3/t13-,14?,15-/m0/s1.
What are the key properties of (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene?
(1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-5-ethyl-2,5,6-trimethyl-3-prop-1-en-2-ylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 142205485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).