formic acid;(3Z)-5-methylidenenona-1,3-diene

C11H18O2 — CID 143779048

IUPACformic acid;(3Z)-5-methylidenenona-1,3-diene
SMILESC=C/C=C\C(=C)CCCC.O=CO
InChIInChI=1S/C10H16.CH2O2/c1-4-6-8-10(3)9-7-5-2;2-1-3/h4,6,8H,1,3,5,7,9H2,2H3;1H,(H,2,3)/b8-6-;
InChIKeyDVFAJRKKYYTDEC-PHZXCRFESA-N
MW182.26 g/mol
LogP3.18
Rot. Bonds5

About formic acid;(3Z)-5-methylidenenona-1,3-diene

formic acid;(3Z)-5-methylidenenona-1,3-diene (PubChem CID 143779048) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is formic acid;(3Z)-5-methylidenenona-1,3-diene.

Molecular Properties

Compound Nameformic acid;(3Z)-5-methylidenenona-1,3-diene
PubChem CID143779048
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameformic acid;(3Z)-5-methylidenenona-1,3-diene
SMILESC=C/C=C\C(=C)CCCC.O=CO
InChIInChI=1S/C10H16.CH2O2/c1-4-6-8-10(3)9-7-5-2;2-1-3/h4,6,8H,1,3,5,7,9H2,2H3;1H,(H,2,3)/b8-6-;
InChIKeyDVFAJRKKYYTDEC-PHZXCRFESA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-5-methylidenenon-3-ene
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(3Z)-8-methyl-5-methylidenenona-1,3-diene
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(Z)-4-methylidenenon-2-en-1-amine
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(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
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ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087
(3Z)-2-butoxyhexa-1,3,5-triene
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(E)-4-methylideneoctadec-2-enoic acid
CID 87396066
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
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3-methylidenetridec-1-ene
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Frequently Asked Questions

What is the IUPAC name of formic acid;(3Z)-5-methylidenenona-1,3-diene?
The IUPAC name of formic acid;(3Z)-5-methylidenenona-1,3-diene (CID 143779048) is formic acid;(3Z)-5-methylidenenona-1,3-diene.
What is the SMILES notation for formic acid;(3Z)-5-methylidenenona-1,3-diene?
The canonical SMILES for formic acid;(3Z)-5-methylidenenona-1,3-diene is C=C/C=C\C(=C)CCCC.O=CO.
What is the InChIKey of formic acid;(3Z)-5-methylidenenona-1,3-diene?
The InChIKey is DVFAJRKKYYTDEC-PHZXCRFESA-N. The full InChI is InChI=1S/C10H16.CH2O2/c1-4-6-8-10(3)9-7-5-2;2-1-3/h4,6,8H,1,3,5,7,9H2,2H3;1H,(H,2,3)/b8-6-;.
What are the key properties of formic acid;(3Z)-5-methylidenenona-1,3-diene?
formic acid;(3Z)-5-methylidenenona-1,3-diene has a molecular weight of 182.26 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(3Z)-5-methylidenenona-1,3-diene is sourced from PubChem (CID 143779048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).