4-ethylidene-6-propan-2-ylidenenona-1,7-diene

C14H22 — CID 91411455

IUPAC4-ethylidene-6-propan-2-ylidenenona-1,7-diene
SMILESC=CCC(=CC)CC(C=CC)=C(C)C
InChIInChI=1S/C14H22/c1-6-9-13(8-3)11-14(10-7-2)12(4)5/h6-8,10H,1,9,11H2,2-5H3
InChIKeyYCNDYWLOBCIFQU-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.81
Rot. Bonds5

About 4-ethylidene-6-propan-2-ylidenenona-1,7-diene

4-ethylidene-6-propan-2-ylidenenona-1,7-diene (PubChem CID 91411455) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-ethylidene-6-propan-2-ylidenenona-1,7-diene.

Molecular Properties

Compound Name4-ethylidene-6-propan-2-ylidenenona-1,7-diene
PubChem CID91411455
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-ethylidene-6-propan-2-ylidenenona-1,7-diene
SMILESC=CCC(=CC)CC(C=CC)=C(C)C
InChIInChI=1S/C14H22/c1-6-9-13(8-3)11-14(10-7-2)12(4)5/h6-8,10H,1,9,11H2,2-5H3
InChIKeyYCNDYWLOBCIFQU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
(6E,8Z)-7-methyl-4-methylidenedeca-1,6,8-triene
CID 142247806
acetic acid;2-ethylidenepent-4-en-1-ol
CID 71397041
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
CID 145229389
3-(methoxymethyl)-2-methylhexa-2,4-diene
CID 123167394
(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine
CID 163993570
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
CID 161280162

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-6-propan-2-ylidenenona-1,7-diene?
The IUPAC name of 4-ethylidene-6-propan-2-ylidenenona-1,7-diene (CID 91411455) is 4-ethylidene-6-propan-2-ylidenenona-1,7-diene.
What is the SMILES notation for 4-ethylidene-6-propan-2-ylidenenona-1,7-diene?
The canonical SMILES for 4-ethylidene-6-propan-2-ylidenenona-1,7-diene is C=CCC(=CC)CC(C=CC)=C(C)C.
What is the InChIKey of 4-ethylidene-6-propan-2-ylidenenona-1,7-diene?
The InChIKey is YCNDYWLOBCIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-9-13(8-3)11-14(10-7-2)12(4)5/h6-8,10H,1,9,11H2,2-5H3.
What are the key properties of 4-ethylidene-6-propan-2-ylidenenona-1,7-diene?
4-ethylidene-6-propan-2-ylidenenona-1,7-diene has a molecular weight of 190.33 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-6-propan-2-ylidenenona-1,7-diene is sourced from PubChem (CID 91411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).