(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene

C35H64 — CID 170619798

IUPAC(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESC=C(C)/C=C(\C)CC.C=C/C(C)=C\C(C)=C/C.CC.CC.CC.Cc1cc(C)c(C(C)C)cc1C
InChIInChI=1S/C12H18.C9H14.C8H14.3C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-5-8(3)7-9(4)6-2;1-5-8(4)6-7(2)3;3*1-2/h6-8H,1-5H3;5-7H,1H2,2-4H3;6H,2,5H2,1,3-4H3;3*1-2H3/b;8-7-,9-6-;8-6+;;;
InChIKeyKIGIGWZDXWAFJM-JDRZGZQGSA-N
MW484.90 g/mol
LogP12.82
Rot. Bonds5

About (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene

(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 170619798) has the molecular formula C35H64 and a molecular weight of 484.90 g/mol. Its IUPAC name is (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene
PubChem CID170619798
Molecular FormulaC35H64
Molecular Weight484.90 g/mol
Exact Mass484.50
IUPAC Name(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESC=C(C)/C=C(\C)CC.C=C/C(C)=C\C(C)=C/C.CC.CC.CC.Cc1cc(C)c(C(C)C)cc1C
InChIInChI=1S/C12H18.C9H14.C8H14.3C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-5-8(3)7-9(4)6-2;1-5-8(4)6-7(2)3;3*1-2/h6-8H,1-5H3;5-7H,1H2,2-4H3;6H,2,5H2,1,3-4H3;3*1-2H3/b;8-7-,9-6-;8-6+;;;
InChIKeyKIGIGWZDXWAFJM-JDRZGZQGSA-N
XLogP12.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene with MolForge

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Related Compounds

O-Xylene
CID 7237
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
1,2,3-Trimethylbenzene
CID 10686
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
p-alpha-Dimethyl styrene
CID 62385
M-Cymene
CID 10812
3-Ethyltoluene
CID 12100
O-Cymene
CID 10703

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene?
The IUPAC name of (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene (CID 170619798) is (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene?
The canonical SMILES for (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene is C=C(C)/C=C(\C)CC.C=C/C(C)=C\C(C)=C/C.CC.CC.CC.Cc1cc(C)c(C(C)C)cc1C.
What is the InChIKey of (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene?
The InChIKey is KIGIGWZDXWAFJM-JDRZGZQGSA-N. The full InChI is InChI=1S/C12H18.C9H14.C8H14.3C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-5-8(3)7-9(4)6-2;1-5-8(4)6-7(2)3;3*1-2/h6-8H,1-5H3;5-7H,1H2,2-4H3;6H,2,5H2,1,3-4H3;3*1-2H3/b;8-7-,9-6-;8-6+;;;.
What are the key properties of (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene?
(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 484.90 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 170619798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).