7-heptoxybicyclo[2.2.1]hept-2-ene

C14H24O — CID 169432261

IUPAC7-heptoxybicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCOC1C2C=CC1CC2
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-11-15-14-12-7-8-13(14)10-9-12/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyNGDHHCYJZXZUBY-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds7

About 7-heptoxybicyclo[2.2.1]hept-2-ene

7-heptoxybicyclo[2.2.1]hept-2-ene (PubChem CID 169432261) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 7-heptoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-heptoxybicyclo[2.2.1]hept-2-ene
PubChem CID169432261
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name7-heptoxybicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCOC1C2C=CC1CC2
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-11-15-14-12-7-8-13(14)10-9-12/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyNGDHHCYJZXZUBY-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
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

5-Methoxybicyclo[2.2.1]hept-2-ene
CID 140197
(4aR,7aS)-2-butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 134981525
7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 12835247
5-Butoxy-2-norbornene
CID 22335856
5-(Cyclohexyloxy)bicyclo[2.2.1]hept-2-ene
CID 22754161
7-Methoxybicyclo[2.2.1]hept-2-ene
CID 139370
2-Ethylidene-6-[(propan-2-yl)oxy]bicyclo[2.2.1]heptane
CID 53756778
Bicyclo [2.2.1] heptane, 2-ethylidene-6-isopropoxy
CID 55250280
5-(Fluoromethoxy)bicyclo[2.2.1]hept-2-ene
CID 57549441
5-Butyl-6-(1,1,2-trifluoro-2-methylpropoxy)bicyclo[2.2.1]hept-2-ene
CID 141722107
5-Methyl-6-(1,1,2-trifluoro-2-methylpropoxy)bicyclo[2.2.1]hept-2-ene
CID 141722108
5-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptoxy)bicyclo[2.2.1]hept-2-ene
CID 141722119

Frequently Asked Questions

What is the IUPAC name of 7-heptoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-heptoxybicyclo[2.2.1]hept-2-ene (CID 169432261) is 7-heptoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-heptoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-heptoxybicyclo[2.2.1]hept-2-ene is CCCCCCCOC1C2C=CC1CC2.
What is the InChIKey of 7-heptoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is NGDHHCYJZXZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-11-15-14-12-7-8-13(14)10-9-12/h7-8,12-14H,2-6,9-11H2,1H3.
What are the key properties of 7-heptoxybicyclo[2.2.1]hept-2-ene?
7-heptoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 208.34 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 169432261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).