ethane;(Z,3Z)-3-propylidenehept-4-enoic acid

C14H28O2 — CID 143337053

IUPACethane;(Z,3Z)-3-propylidenehept-4-enoic acid
SMILESCC.CC.CC/C=C\C(=C/CC)CC(=O)O
InChIInChI=1S/C10H16O2.2C2H6/c1-3-5-7-9(6-4-2)8-10(11)12;2*1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);2*1-2H3/b7-5-,9-6+;;
InChIKeyBVXUFSGIHQZYMO-GZFYBLGYSA-N
MW228.38 g/mol
LogP4.82
Rot. Bonds5

About ethane;(Z,3Z)-3-propylidenehept-4-enoic acid

ethane;(Z,3Z)-3-propylidenehept-4-enoic acid (PubChem CID 143337053) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;(Z,3Z)-3-propylidenehept-4-enoic acid.

Molecular Properties

Compound Nameethane;(Z,3Z)-3-propylidenehept-4-enoic acid
PubChem CID143337053
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameethane;(Z,3Z)-3-propylidenehept-4-enoic acid
SMILESCC.CC.CC/C=C\C(=C/CC)CC(=O)O
InChIInChI=1S/C10H16O2.2C2H6/c1-3-5-7-9(6-4-2)8-10(11)12;2*1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);2*1-2H3/b7-5-,9-6+;;
InChIKeyBVXUFSGIHQZYMO-GZFYBLGYSA-N
XLogP4.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-pent-2-enoic acid
CID 638122
(3E,5Z)-4-(propoxymethyl)octa-3,5-diene
CID 130374404
pent-2-enoic acid;hydrochloride
CID 156883966
(Z)-hex-3-ene;propanoic acid
CID 174827236
(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene
CID 142891735
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
3-propylhex-3-enoic acid
CID 152767983
3-propylidenehexanedioic acid
CID 91172296
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
(E)-N-hydroxypent-2-enamide
CID 87376694
acetic acid;(Z)-hex-3-ene
CID 87142970
(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
CID 144709720

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,3Z)-3-propylidenehept-4-enoic acid?
The IUPAC name of ethane;(Z,3Z)-3-propylidenehept-4-enoic acid (CID 143337053) is ethane;(Z,3Z)-3-propylidenehept-4-enoic acid.
What is the SMILES notation for ethane;(Z,3Z)-3-propylidenehept-4-enoic acid?
The canonical SMILES for ethane;(Z,3Z)-3-propylidenehept-4-enoic acid is CC.CC.CC/C=C\C(=C/CC)CC(=O)O.
What is the InChIKey of ethane;(Z,3Z)-3-propylidenehept-4-enoic acid?
The InChIKey is BVXUFSGIHQZYMO-GZFYBLGYSA-N. The full InChI is InChI=1S/C10H16O2.2C2H6/c1-3-5-7-9(6-4-2)8-10(11)12;2*1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);2*1-2H3/b7-5-,9-6+;;.
What are the key properties of ethane;(Z,3Z)-3-propylidenehept-4-enoic acid?
ethane;(Z,3Z)-3-propylidenehept-4-enoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,3Z)-3-propylidenehept-4-enoic acid is sourced from PubChem (CID 143337053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).