3,3-dicyclopropylbut-1-enylbenzene

C16H20 — CID 173296746

IUPAC3,3-dicyclopropylbut-1-enylbenzene
SMILESCC(C=Cc1ccccc1)(C1CC1)C1CC1
InChIInChI=1S/C16H20/c1-16(14-7-8-14,15-9-10-15)12-11-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3
InChIKeyLZHZEEMZCKHRCR-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.53
Rot. Bonds4

About 3,3-dicyclopropylbut-1-enylbenzene

3,3-dicyclopropylbut-1-enylbenzene (PubChem CID 173296746) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dicyclopropylbut-1-enylbenzene.

Molecular Properties

Compound Name3,3-dicyclopropylbut-1-enylbenzene
PubChem CID173296746
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name3,3-dicyclopropylbut-1-enylbenzene
SMILESCC(C=Cc1ccccc1)(C1CC1)C1CC1
InChIInChI=1S/C16H20/c1-16(14-7-8-14,15-9-10-15)12-11-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3
InChIKeyLZHZEEMZCKHRCR-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
2-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-5-phenyl-3,4-dihydro-2H-pyrrole
CID 162408709
2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 43341261
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
3-amino-3-(4-methylcyclohexyl)-6-phenylhex-5-ene-1,4,4-triol
CID 174614352
chloromethane;styrene
CID 122701035
2-methyl-2,4-diphenylbut-3-enal
CID 154114517
2-methyl-4-phenylbut-3-ene-2-sulfonamide
CID 174855476
(E)-2-ethenyl-2-methyl-4-phenylbut-3-enoic acid
CID 13110783
4-methyl-1-phenyl-3-propan-2-ylpent-1-en-3-amine
CID 123362141

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropylbut-1-enylbenzene?
The IUPAC name of 3,3-dicyclopropylbut-1-enylbenzene (CID 173296746) is 3,3-dicyclopropylbut-1-enylbenzene.
What is the SMILES notation for 3,3-dicyclopropylbut-1-enylbenzene?
The canonical SMILES for 3,3-dicyclopropylbut-1-enylbenzene is CC(C=Cc1ccccc1)(C1CC1)C1CC1.
What is the InChIKey of 3,3-dicyclopropylbut-1-enylbenzene?
The InChIKey is LZHZEEMZCKHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-16(14-7-8-14,15-9-10-15)12-11-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3.
What are the key properties of 3,3-dicyclopropylbut-1-enylbenzene?
3,3-dicyclopropylbut-1-enylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropylbut-1-enylbenzene is sourced from PubChem (CID 173296746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).