5-cyclopropylpent-1-enylbenzene;styrene

C22H26 — CID 173204753

IUPAC5-cyclopropylpent-1-enylbenzene;styrene
SMILESC(=Cc1ccccc1)CCCC1CC1.C=Cc1ccccc1
InChIInChI=1S/C14H18.C8H8/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14;1-2-8-6-4-3-5-7-8/h1,3-5,7-9,14H,2,6,10-12H2;2-7H,1H2
InChIKeyCEBTYGVCTIASAW-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.61
Rot. Bonds6

About 5-cyclopropylpent-1-enylbenzene;styrene

5-cyclopropylpent-1-enylbenzene;styrene (PubChem CID 173204753) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-cyclopropylpent-1-enylbenzene;styrene.

Molecular Properties

Compound Name5-cyclopropylpent-1-enylbenzene;styrene
PubChem CID173204753
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name5-cyclopropylpent-1-enylbenzene;styrene
SMILESC(=Cc1ccccc1)CCCC1CC1.C=Cc1ccccc1
InChIInChI=1S/C14H18.C8H8/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14;1-2-8-6-4-3-5-7-8/h1,3-5,7-9,14H,2,6,10-12H2;2-7H,1H2
InChIKeyCEBTYGVCTIASAW-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-1-enylbenzene;prop-1-ene
CID 157442084
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
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CID 173180701
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
CID 162211606
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
3-phenylprop-2-enyl 9-cyclopropylnonanoate
CID 54535707
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
5-ethoxypent-1-enylbenzene
CID 54285670
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914
1-ethenyl-4-[[4-[(Z)-pent-1-enyl]phenyl]-diphenylmethyl]benzene
CID 144673708

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpent-1-enylbenzene;styrene?
The IUPAC name of 5-cyclopropylpent-1-enylbenzene;styrene (CID 173204753) is 5-cyclopropylpent-1-enylbenzene;styrene.
What is the SMILES notation for 5-cyclopropylpent-1-enylbenzene;styrene?
The canonical SMILES for 5-cyclopropylpent-1-enylbenzene;styrene is C(=Cc1ccccc1)CCCC1CC1.C=Cc1ccccc1.
What is the InChIKey of 5-cyclopropylpent-1-enylbenzene;styrene?
The InChIKey is CEBTYGVCTIASAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C8H8/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-12-14;1-2-8-6-4-3-5-7-8/h1,3-5,7-9,14H,2,6,10-12H2;2-7H,1H2.
What are the key properties of 5-cyclopropylpent-1-enylbenzene;styrene?
5-cyclopropylpent-1-enylbenzene;styrene has a molecular weight of 290.45 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpent-1-enylbenzene;styrene is sourced from PubChem (CID 173204753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).