2-tridec-1-enylfuran

C17H28O — CID 76580057

IUPAC2-tridec-1-enylfuran
SMILESCCCCCCCCCCCC=Cc1ccco1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h12-16H,2-11H2,1H3
InChIKeyWLJCMRFNEKCKJA-UHFFFAOYSA-N
MW248.41 g/mol
LogP6.21
Rot. Bonds11

About 2-tridec-1-enylfuran

2-tridec-1-enylfuran (PubChem CID 76580057) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-tridec-1-enylfuran.

Molecular Properties

Compound Name2-tridec-1-enylfuran
PubChem CID76580057
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-tridec-1-enylfuran
SMILESCCCCCCCCCCCC=Cc1ccco1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h12-16H,2-11H2,1H3
InChIKeyWLJCMRFNEKCKJA-UHFFFAOYSA-N
XLogP6.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan
CID 10646033
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
1-(furan-2-yl)-N-octadec-9-enylmethanimine
CID 70204995
2,5-bis(undec-1-enyl)furan
CID 90706742
methyl (E)-9-(furan-2-yl)non-8-enoate
CID 11322314
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
(E,4Z)-4-(furan-2-ylmethylidene)docos-13-enoic acid
CID 59928970
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
[(E)-octadec-1-enyl]benzene
CID 22722345
2-[(E)-4-phenylbut-1-enyl]furan
CID 169432346

Frequently Asked Questions

What is the IUPAC name of 2-tridec-1-enylfuran?
The IUPAC name of 2-tridec-1-enylfuran (CID 76580057) is 2-tridec-1-enylfuran.
What is the SMILES notation for 2-tridec-1-enylfuran?
The canonical SMILES for 2-tridec-1-enylfuran is CCCCCCCCCCCC=Cc1ccco1.
What is the InChIKey of 2-tridec-1-enylfuran?
The InChIKey is WLJCMRFNEKCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h12-16H,2-11H2,1H3.
What are the key properties of 2-tridec-1-enylfuran?
2-tridec-1-enylfuran has a molecular weight of 248.41 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridec-1-enylfuran is sourced from PubChem (CID 76580057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).