1-[(3S)-non-1-en-3-yl]naphthalene

C19H24 — CID 102346574

IUPAC1-[(3S)-non-1-en-3-yl]naphthalene
SMILESC=C[C@H](CCCCCC)c1cccc2ccccc12
InChIInChI=1S/C19H24/c1-3-5-6-7-11-16(4-2)18-15-10-13-17-12-8-9-14-19(17)18/h4,8-10,12-16H,2-3,5-7,11H2,1H3/t16-/m1/s1
InChIKeyMCWSNUGTCQVKSN-MRXNPFEDSA-N
MW252.40 g/mol
LogP6.08
Rot. Bonds7

About 1-[(3S)-non-1-en-3-yl]naphthalene

1-[(3S)-non-1-en-3-yl]naphthalene (PubChem CID 102346574) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(3S)-non-1-en-3-yl]naphthalene.

Molecular Properties

Compound Name1-[(3S)-non-1-en-3-yl]naphthalene
PubChem CID102346574
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-[(3S)-non-1-en-3-yl]naphthalene
SMILESC=C[C@H](CCCCCC)c1cccc2ccccc12
InChIInChI=1S/C19H24/c1-3-5-6-7-11-16(4-2)18-15-10-13-17-12-8-9-14-19(17)18/h4,8-10,12-16H,2-3,5-7,11H2,1H3/t16-/m1/s1
InChIKeyMCWSNUGTCQVKSN-MRXNPFEDSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2-pentadec-1-en-3-ylphenol
CID 67611246
2-oct-1-en-3-ylphenol
CID 174457619
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915
3-dec-1-en-3-ylphthalic acid
CID 67068934
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
2-naphthalen-1-yldodecanoic acid
CID 23333439
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
CID 173360990
CID 173360990

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-non-1-en-3-yl]naphthalene?
The IUPAC name of 1-[(3S)-non-1-en-3-yl]naphthalene (CID 102346574) is 1-[(3S)-non-1-en-3-yl]naphthalene.
What is the SMILES notation for 1-[(3S)-non-1-en-3-yl]naphthalene?
The canonical SMILES for 1-[(3S)-non-1-en-3-yl]naphthalene is C=C[C@H](CCCCCC)c1cccc2ccccc12.
What is the InChIKey of 1-[(3S)-non-1-en-3-yl]naphthalene?
The InChIKey is MCWSNUGTCQVKSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24/c1-3-5-6-7-11-16(4-2)18-15-10-13-17-12-8-9-14-19(17)18/h4,8-10,12-16H,2-3,5-7,11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3S)-non-1-en-3-yl]naphthalene?
1-[(3S)-non-1-en-3-yl]naphthalene has a molecular weight of 252.40 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-non-1-en-3-yl]naphthalene is sourced from PubChem (CID 102346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).