4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene

C16H20 — CID 90958678

IUPAC4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene
SMILESCC=CC1=CC(C=CCC)=CC=C2C(C)C12
InChIInChI=1S/C16H20/c1-4-6-8-13-9-10-15-12(3)16(15)14(11-13)7-5-2/h5-12,16H,4H2,1-3H3
InChIKeyOENZVRGRXFZNSS-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.59
Rot. Bonds3

About 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene

4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene (PubChem CID 90958678) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene.

Molecular Properties

Compound Name4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene
PubChem CID90958678
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene
SMILESCC=CC1=CC(C=CCC)=CC=C2C(C)C12
InChIInChI=1S/C16H20/c1-4-6-8-13-9-10-15-12(3)16(15)14(11-13)7-5-2/h5-12,16H,4H2,1-3H3
InChIKeyOENZVRGRXFZNSS-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
CID 70181027
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
6-ethyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 173478560
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548
1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677589
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 143620880
3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane
CID 156888166
(4S,5R)-4,5-bis(methoxymethoxy)-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 134895890
germane;pent-2-ene
CID 174678272
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
CID 162303422
CID 162303422

Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene?
The IUPAC name of 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene (CID 90958678) is 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene.
What is the SMILES notation for 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene?
The canonical SMILES for 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene is CC=CC1=CC(C=CCC)=CC=C2C(C)C12.
What is the InChIKey of 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene?
The InChIKey is OENZVRGRXFZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-6-8-13-9-10-15-12(3)16(15)14(11-13)7-5-2/h5-12,16H,4H2,1-3H3.
What are the key properties of 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene?
4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene has a molecular weight of 212.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene is sourced from PubChem (CID 90958678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).