2-[(E,2S)-pent-3-en-2-yl]naphthalene

C15H16 — CID 14917536

IUPAC2-[(E,2S)-pent-3-en-2-yl]naphthalene
SMILESC/C=C/[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C15H16/c1-3-6-12(2)14-10-9-13-7-4-5-8-15(13)11-14/h3-12H,1-2H3/b6-3+/t12-/m0/s1
InChIKeyMYUQREIJCKYLPO-UXONFWTHSA-N
MW196.29 g/mol
LogP4.52
Rot. Bonds2

About 2-[(E,2S)-pent-3-en-2-yl]naphthalene

2-[(E,2S)-pent-3-en-2-yl]naphthalene (PubChem CID 14917536) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(E,2S)-pent-3-en-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(E,2S)-pent-3-en-2-yl]naphthalene
PubChem CID14917536
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name2-[(E,2S)-pent-3-en-2-yl]naphthalene
SMILESC/C=C/[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C15H16/c1-3-6-12(2)14-10-9-13-7-4-5-8-15(13)11-14/h3-12H,1-2H3/b6-3+/t12-/m0/s1
InChIKeyMYUQREIJCKYLPO-UXONFWTHSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.52
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

ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
CID 153400153
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
3-naphthalen-2-ylbutan-2-amine
CID 66436107
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621
N-(1-naphthalen-2-ylethyl)formamide
CID 18543124

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2S)-pent-3-en-2-yl]naphthalene?
The IUPAC name of 2-[(E,2S)-pent-3-en-2-yl]naphthalene (CID 14917536) is 2-[(E,2S)-pent-3-en-2-yl]naphthalene.
What is the SMILES notation for 2-[(E,2S)-pent-3-en-2-yl]naphthalene?
The canonical SMILES for 2-[(E,2S)-pent-3-en-2-yl]naphthalene is C/C=C/[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E,2S)-pent-3-en-2-yl]naphthalene?
The InChIKey is MYUQREIJCKYLPO-UXONFWTHSA-N. The full InChI is InChI=1S/C15H16/c1-3-6-12(2)14-10-9-13-7-4-5-8-15(13)11-14/h3-12H,1-2H3/b6-3+/t12-/m0/s1.
What are the key properties of 2-[(E,2S)-pent-3-en-2-yl]naphthalene?
2-[(E,2S)-pent-3-en-2-yl]naphthalene has a molecular weight of 196.29 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2S)-pent-3-en-2-yl]naphthalene is sourced from PubChem (CID 14917536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).