(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid

C14H22O2 — CID 70511264

IUPAC(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CC1CC2CCC1C2
InChIInChI=1S/C14H22O2/c15-14(16)6-4-2-1-3-5-12-9-11-7-8-13(12)10-11/h1,3,11-13H,2,4-10H2,(H,15,16)/b3-1-
InChIKeyDFHIBVHEBYSXSD-IWQZZHSRSA-N
MW222.33 g/mol
LogP3.62
Rot. Bonds6

About (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid

(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid (PubChem CID 70511264) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
PubChem CID70511264
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CC1CC2CCC1C2
InChIInChI=1S/C14H22O2/c15-14(16)6-4-2-1-3-5-12-9-11-7-8-13(12)10-11/h1,3,11-13H,2,4-10H2,(H,15,16)/b3-1-
InChIKeyDFHIBVHEBYSXSD-IWQZZHSRSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
CID 118934373
(Z)-7-(3-formyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 88676999
5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682016
5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine
CID 79590034
5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
CID 21325432
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
7-[(1S,2S,3R,4R)-3-cyclohexylsulfanyl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 54271035
(E)-7-[(1R,2S,3R,4R)-3-[(1S)-1-hydroxyethyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70360504
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
7-[(1S,2S,3R,4R)-3-(cyclohexylmethylsulfinylmethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 54017741
(Z)-7-[(1S,2S,3R,4R)-3-(2-cyclohexylsulfonylethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70428411
(Z)-7-[(1R,2R,3R,4S)-3-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 88657565

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid?
The IUPAC name of (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid (CID 70511264) is (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid.
What is the SMILES notation for (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid?
The canonical SMILES for (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid is O=C(O)CCC/C=C\CC1CC2CCC1C2.
What is the InChIKey of (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid?
The InChIKey is DFHIBVHEBYSXSD-IWQZZHSRSA-N. The full InChI is InChI=1S/C14H22O2/c15-14(16)6-4-2-1-3-5-12-9-11-7-8-13(12)10-11/h1,3,11-13H,2,4-10H2,(H,15,16)/b3-1-.
What are the key properties of (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid?
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid has a molecular weight of 222.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid is sourced from PubChem (CID 70511264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).