5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene

C17H26 — CID 54543469

IUPAC5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=C(CC=C(C)CC)CC1CC2C=CC1C2
InChIInChI=1S/C17H26/c1-4-13(3)6-7-14(5-2)10-17-12-15-8-9-16(17)11-15/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3
InChIKeyZEWTYKGKODPHIN-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.28
Rot. Bonds5

About 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene

5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 54543469) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
PubChem CID54543469
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=C(CC=C(C)CC)CC1CC2C=CC1C2
InChIInChI=1S/C17H26/c1-4-13(3)6-7-14(5-2)10-17-12-15-8-9-16(17)11-15/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3
InChIKeyZEWTYKGKODPHIN-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.28
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

(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxopropanal
CID 57147896
1-(2-bicyclo[2.2.1]hept-5-enyl)pentan-2-one
CID 59748221
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
5-(4-methylpent-4-en-2-ynyl)bicyclo[2.2.1]hept-2-ene
CID 3614488
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
4-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-2-enoic acid
CID 57210651
2-bicyclo[2.2.1]hept-5-enylmethyl(dihydroxy)silane
CID 71356096
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane
CID 143018982
5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene
CID 59970599

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene (CID 54543469) is 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene is CC=C(CC=C(C)CC)CC1CC2C=CC1C2.
What is the InChIKey of 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is ZEWTYKGKODPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-13(3)6-7-14(5-2)10-17-12-15-8-9-16(17)11-15/h5-6,8-9,15-17H,4,7,10-12H2,1-3H3.
What are the key properties of 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene?
5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 230.39 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 54543469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).