ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane

C25H42 — CID 143493216

IUPACethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane
SMILESC=C.C=CC(=C)C/C(C=C)=C1\C(=C)CC(=C)C1=C.CC.CC.CCC
InChIInChI=1S/C16H18.C3H8.2C2H6.C2H4/c1-7-11(3)9-15(8-2)16-13(5)10-12(4)14(16)6;1-3-2;3*1-2/h7-8H,1-6,9-10H2;3H2,1-2H3;2*1-2H3;1-2H2/b16-15+;;;;
InChIKeyFEIHVTGQTQAVPS-JEEAYVPESA-N
MW342.61 g/mol
LogP8.94
Rot. Bonds4

About ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane

ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane (PubChem CID 143493216) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane.

Molecular Properties

Compound Nameethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane
PubChem CID143493216
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Nameethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane
SMILESC=C.C=CC(=C)C/C(C=C)=C1\C(=C)CC(=C)C1=C.CC.CC.CCC
InChIInChI=1S/C16H18.C3H8.2C2H6.C2H4/c1-7-11(3)9-15(8-2)16-13(5)10-12(4)14(16)6;1-3-2;3*1-2/h7-8H,1-6,9-10H2;3H2,1-2H3;2*1-2H3;1-2H2/b16-15+;;;;
InChIKeyFEIHVTGQTQAVPS-JEEAYVPESA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.94
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

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CID 145018239
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CID 18368536
3-methylidenepent-1-ene
CID 18850
N,N-diethyl-3-methylidenepent-4-en-1-amine
CID 87131898
(2Z)-1-methylidene-2-(2-methylidenepentylidene)cyclobutane
CID 145470283
1-(3-methylidenepent-4-enyl)-2-propylhydrazine
CID 170016863
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
(2Z)-4-methyl-1-methylidene-2-pent-1-en-3-ylidenecyclopentane
CID 163858976
3-methylidenetridec-1-ene
CID 3776253
dimethoxy(2-methylidenebut-3-enyl)borane
CID 131845841
ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane
CID 143691352
ethane;ethene;propane
CID 143348401

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane?
The IUPAC name of ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane (CID 143493216) is ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane.
What is the SMILES notation for ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane?
The canonical SMILES for ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane is C=C.C=CC(=C)C/C(C=C)=C1\C(=C)CC(=C)C1=C.CC.CC.CCC.
What is the InChIKey of ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane?
The InChIKey is FEIHVTGQTQAVPS-JEEAYVPESA-N. The full InChI is InChI=1S/C16H18.C3H8.2C2H6.C2H4/c1-7-11(3)9-15(8-2)16-13(5)10-12(4)14(16)6;1-3-2;3*1-2/h7-8H,1-6,9-10H2;3H2,1-2H3;2*1-2H3;1-2H2/b16-15+;;;;.
What are the key properties of ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane?
ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane has a molecular weight of 342.61 g/mol, XLogP of 8.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;propane;(3Z)-1,2,4-trimethylidene-3-(5-methylidenehepta-1,6-dien-3-ylidene)cyclopentane is sourced from PubChem (CID 143493216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).