ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene

C13H24 — CID 142092985

IUPACethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)C(C)C.CC
InChIInChI=1S/C11H18.C2H6/c1-6-11(10(4)5)8-7-9(2)3;1-2/h6-8,10H,2H2,1,3-5H3;1-2H3/b8-7-,11-6+;
InChIKeyGNBUGHGRADGGNV-WUYYFAKCSA-N
MW180.33 g/mol
LogP4.75
Rot. Bonds3

About ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene

ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 142092985) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
PubChem CID142092985
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)C(C)C.CC
InChIInChI=1S/C11H18.C2H6/c1-6-11(10(4)5)8-7-9(2)3;1-2/h6-8,10H,2H2,1,3-5H3;1-2H3/b8-7-,11-6+;
InChIKeyGNBUGHGRADGGNV-WUYYFAKCSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.75
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

2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
CID 143550597
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene (CID 142092985) is ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene is C=C(C)/C=C\C(=C/C)C(C)C.CC.
What is the InChIKey of ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is GNBUGHGRADGGNV-WUYYFAKCSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-6-11(10(4)5)8-7-9(2)3;1-2/h6-8,10H,2H2,1,3-5H3;1-2H3/b8-7-,11-6+;.
What are the key properties of ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene?
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 180.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 142092985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).