(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne

C14H22 — CID 144982541

IUPAC(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne
SMILESC#CC.C/C=C1/C=CC/C1=C/C.CC
InChIInChI=1S/C9H12.C3H4.C2H6/c1-3-8-6-5-7-9(8)4-2;1-3-2;1-2/h3-6H,7H2,1-2H3;1H,2H3;1-2H3/b8-3-,9-4-;;
InChIKeyKTVDFWUKDMHCTR-DKKFFLFYSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds

About (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne

(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne (PubChem CID 144982541) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne.

Molecular Properties

Compound Name(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne
PubChem CID144982541
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne
SMILESC#CC.C/C=C1/C=CC/C1=C/C.CC
InChIInChI=1S/C9H12.C3H4.C2H6/c1-3-8-6-5-7-9(8)4-2;1-3-2;1-2/h3-6H,7H2,1-2H3;1H,2H3;1-2H3/b8-3-,9-4-;;
InChIKeyKTVDFWUKDMHCTR-DKKFFLFYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
benzene;ethane;prop-1-yne
CID 90730719
ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
CID 143576031
1,2-di(ethylidene)cyclopropane
CID 123857340
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
(4E,5E)-4,5-di(ethylidene)-1,3-oxazole;ethane;prop-1-yne
CID 144982538
ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
CID 143106531
(2Z)-2-ethylidenepyridin-1-amine;prop-1-yne
CID 142384573
2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
CID 15205236
ethane;methanethiol;prop-1-yne
CID 144528675
acetic acid;6-ethylidenecyclohexa-1,3-diene-1-carboxylic acid
CID 67725909
methane;prop-1-yne
CID 157284750

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne?
The IUPAC name of (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne (CID 144982541) is (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne.
What is the SMILES notation for (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne?
The canonical SMILES for (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne is C#CC.C/C=C1/C=CC/C1=C/C.CC.
What is the InChIKey of (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne?
The InChIKey is KTVDFWUKDMHCTR-DKKFFLFYSA-N. The full InChI is InChI=1S/C9H12.C3H4.C2H6/c1-3-8-6-5-7-9(8)4-2;1-3-2;1-2/h3-6H,7H2,1-2H3;1H,2H3;1-2H3/b8-3-,9-4-;;.
What are the key properties of (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne?
(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne has a molecular weight of 190.33 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne is sourced from PubChem (CID 144982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).