(3Z,5Z)-5-methylhepta-1,3,5-triene;propane

C14H28 — CID 142516353

IUPAC(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
SMILESC=C/C=C\C(C)=C/C.CCC.CCC
InChIInChI=1S/C8H12.2C3H8/c1-4-6-7-8(3)5-2;2*1-3-2/h4-7H,1H2,2-3H3;2*3H2,1-2H3/b7-6-,8-5-;;
InChIKeyMDTGGZOUCKNCHA-SYQAIZLOSA-N
MW196.38 g/mol
LogP5.53
Rot. Bonds2

About (3Z,5Z)-5-methylhepta-1,3,5-triene;propane

(3Z,5Z)-5-methylhepta-1,3,5-triene;propane (PubChem CID 142516353) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (3Z,5Z)-5-methylhepta-1,3,5-triene;propane.

Molecular Properties

Compound Name(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
PubChem CID142516353
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
SMILESC=C/C=C\C(C)=C/C.CCC.CCC
InChIInChI=1S/C8H12.2C3H8/c1-4-6-7-8(3)5-2;2*1-3-2/h4-7H,1H2,2-3H3;2*3H2,1-2H3/b7-6-,8-5-;;
InChIKeyMDTGGZOUCKNCHA-SYQAIZLOSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.53
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

5-methylocta-1,3,5-triene
CID 123706098
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
CID 143842568
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The IUPAC name of (3Z,5Z)-5-methylhepta-1,3,5-triene;propane (CID 142516353) is (3Z,5Z)-5-methylhepta-1,3,5-triene;propane.
What is the SMILES notation for (3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The canonical SMILES for (3Z,5Z)-5-methylhepta-1,3,5-triene;propane is C=C/C=C\C(C)=C/C.CCC.CCC.
What is the InChIKey of (3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The InChIKey is MDTGGZOUCKNCHA-SYQAIZLOSA-N. The full InChI is InChI=1S/C8H12.2C3H8/c1-4-6-7-8(3)5-2;2*1-3-2/h4-7H,1H2,2-3H3;2*3H2,1-2H3/b7-6-,8-5-;;.
What are the key properties of (3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane has a molecular weight of 196.38 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methylhepta-1,3,5-triene;propane is sourced from PubChem (CID 142516353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).