(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane

C15H32 — CID 144971150

IUPAC(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
SMILESC=C(C)/C=C\C(=C)C.CC.CC.CCC
InChIInChI=1S/C8H12.C3H8.2C2H6/c1-7(2)5-6-8(3)4;1-3-2;2*1-2/h5-6H,1,3H2,2,4H3;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyOAPSIPRJZJPINE-WTUPQPTJSA-N
MW212.42 g/mol
LogP6.16
Rot. Bonds2

About (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane

(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane (PubChem CID 144971150) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane.

Molecular Properties

Compound Name(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
PubChem CID144971150
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
SMILESC=C(C)/C=C\C(=C)C.CC.CC.CCC
InChIInChI=1S/C8H12.C3H8.2C2H6/c1-7(2)5-6-8(3)4;1-3-2;2*1-2/h5-6H,1,3H2,2,4H3;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyOAPSIPRJZJPINE-WTUPQPTJSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.16
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

(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(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
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
CID 144794345
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane?
The IUPAC name of (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane (CID 144971150) is (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane.
What is the SMILES notation for (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane?
The canonical SMILES for (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane is C=C(C)/C=C\C(=C)C.CC.CC.CCC.
What is the InChIKey of (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane?
The InChIKey is OAPSIPRJZJPINE-WTUPQPTJSA-N. The full InChI is InChI=1S/C8H12.C3H8.2C2H6/c1-7(2)5-6-8(3)4;1-3-2;2*1-2/h5-6H,1,3H2,2,4H3;3H2,1-2H3;2*1-2H3/b6-5-;;;.
What are the key properties of (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane?
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane has a molecular weight of 212.42 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane is sourced from PubChem (CID 144971150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).