pentane;prop-2-enylbenzene

C14H22 — CID 90884247

IUPACpentane;prop-2-enylbenzene
SMILESC=CCc1ccccc1.CCCCC
InChIInChI=1S/C9H10.C5H12/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2/h2-5,7-8H,1,6H2;3-5H2,1-2H3
InChIKeyWZRSOJZWFHSEJP-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.61
Rot. Bonds4

About pentane;prop-2-enylbenzene

pentane;prop-2-enylbenzene (PubChem CID 90884247) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is pentane;prop-2-enylbenzene.

Molecular Properties

Compound Namepentane;prop-2-enylbenzene
PubChem CID90884247
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Namepentane;prop-2-enylbenzene
SMILESC=CCc1ccccc1.CCCCC
InChIInChI=1S/C9H10.C5H12/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2/h2-5,7-8H,1,6H2;3-5H2,1-2H3
InChIKeyWZRSOJZWFHSEJP-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
2-methylidenehexanoic acid;prop-2-enylbenzene
CID 67727241
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
propan-2-amine;prop-2-enylbenzene
CID 66809896
butylcyclohexane;ethene;prop-2-enylbenzene
CID 174813579
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-butyl-3-prop-2-enylbenzene
CID 140596641

Frequently Asked Questions

What is the IUPAC name of pentane;prop-2-enylbenzene?
The IUPAC name of pentane;prop-2-enylbenzene (CID 90884247) is pentane;prop-2-enylbenzene.
What is the SMILES notation for pentane;prop-2-enylbenzene?
The canonical SMILES for pentane;prop-2-enylbenzene is C=CCc1ccccc1.CCCCC.
What is the InChIKey of pentane;prop-2-enylbenzene?
The InChIKey is WZRSOJZWFHSEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C5H12/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2/h2-5,7-8H,1,6H2;3-5H2,1-2H3.
What are the key properties of pentane;prop-2-enylbenzene?
pentane;prop-2-enylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;prop-2-enylbenzene is sourced from PubChem (CID 90884247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).