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

C14H28 — CID 142182203

IUPACethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C(=C\C=C/C)C(C)C.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-5-7-8-10(6-2)9(3)4;2*1-2/h5-9H,2H2,1,3-4H3;2*1-2H3/b7-5-,10-8+;;
InChIKeyINLQGCNGFCEJOG-RTZYNNLGSA-N
MW196.38 g/mol
LogP5.38
Rot. Bonds3

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

ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene (PubChem CID 142182203) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
PubChem CID142182203
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C(=C\C=C/C)C(C)C.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-5-7-8-10(6-2)9(3)4;2*1-2/h5-9H,2H2,1,3-4H3;2*1-2H3/b7-5-,10-8+;;
InChIKeyINLQGCNGFCEJOG-RTZYNNLGSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.38
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

ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
(3Z,5Z)-7-fluoro-3-propan-2-ylhepta-1,3,5-triene
CID 129119795
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
CID 164573224
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene (CID 142182203) is ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene is C=C/C(=C\C=C/C)C(C)C.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene?
The InChIKey is INLQGCNGFCEJOG-RTZYNNLGSA-N. The full InChI is InChI=1S/C10H16.2C2H6/c1-5-7-8-10(6-2)9(3)4;2*1-2/h5-9H,2H2,1,3-4H3;2*1-2H3/b7-5-,10-8+;;.
What are the key properties of ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene?
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene has a molecular weight of 196.38 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 142182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).