2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

C18H22O — CID 162736648

IUPAC2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CCCCC1(CC=C)CCc2ccccc2C1=O
InChIInChI=1S/C18H22O/c1-3-5-8-13-18(12-4-2)14-11-15-9-6-7-10-16(15)17(18)19/h3-4,6-7,9-10H,1-2,5,8,11-14H2
InChIKeyVUNDVBCPEHTIBK-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.73
Rot. Bonds6

About 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (PubChem CID 162736648) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
PubChem CID162736648
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CCCCC1(CC=C)CCc2ccccc2C1=O
InChIInChI=1S/C18H22O/c1-3-5-8-13-18(12-4-2)14-11-15-9-6-7-10-16(15)17(18)19/h3-4,6-7,9-10H,1-2,5,8,11-14H2
InChIKeyVUNDVBCPEHTIBK-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalen-2-yl]butanoic acid
CID 155321803
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
2-(bromomethyl)-2-but-3-enyl-3H-inden-1-one
CID 25023064
isoindole-1,3-dione;pent-4-en-1-ol
CID 142866906
2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
2-butyl-5-(methoxymethoxy)-2-pent-4-enyl-3H-inden-1-one
CID 22664994
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
ethyl 4-oxo-3-prop-2-enyl-1H-isothiochromene-3-carboxylate
CID 102421373

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (CID 162736648) is 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is C=CCCCC1(CC=C)CCc2ccccc2C1=O.
What is the InChIKey of 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The InChIKey is VUNDVBCPEHTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-5-8-13-18(12-4-2)14-11-15-9-6-7-10-16(15)17(18)19/h3-4,6-7,9-10H,1-2,5,8,11-14H2.
What are the key properties of 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one has a molecular weight of 254.37 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 162736648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).