(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane

C13H24 — CID 145140668

IUPAC(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
SMILESC=CC(=C)C(=C)/C=C\C.CC.CC
InChIInChI=1S/C9H12.2C2H6/c1-5-7-9(4)8(3)6-2;2*1-2/h5-7H,2-4H2,1H3;2*1-2H3/b7-5-;;
InChIKeyPGVNTEQEWGSRLJ-MWKZNRQPSA-N
MW180.34 g/mol
LogP4.91
Rot. Bonds3

About (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane

(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane (PubChem CID 145140668) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane.

Molecular Properties

Compound Name(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
PubChem CID145140668
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
SMILESC=CC(=C)C(=C)/C=C\C.CC.CC
InChIInChI=1S/C9H12.2C2H6/c1-5-7-9(4)8(3)6-2;2*1-2/h5-7H,2-4H2,1H3;2*1-2H3/b7-5-;;
InChIKeyPGVNTEQEWGSRLJ-MWKZNRQPSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
but-2-enoic acid;2-methylidenebut-3-enoic acid
CID 174401029
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
N-methyl-2-methylidenepent-3-enamide
CID 123693857
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
but-2-enoyl chloride;prop-2-enoyl chloride
CID 174874963
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane?
The IUPAC name of (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane (CID 145140668) is (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane.
What is the SMILES notation for (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane?
The canonical SMILES for (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane is C=CC(=C)C(=C)/C=C\C.CC.CC.
What is the InChIKey of (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane?
The InChIKey is PGVNTEQEWGSRLJ-MWKZNRQPSA-N. The full InChI is InChI=1S/C9H12.2C2H6/c1-5-7-9(4)8(3)6-2;2*1-2/h5-7H,2-4H2,1H3;2*1-2H3/b7-5-;;.
What are the key properties of (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane?
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane has a molecular weight of 180.34 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-dimethylidenehepta-1,5-diene;ethane is sourced from PubChem (CID 145140668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).