(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane

C18H34 — CID 145382285

IUPAC(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane
SMILESC=C/C(=C(C)\C(C)=C/CC)C(C)(C)C.CC(C)C
InChIInChI=1S/C14H24.C4H10/c1-8-10-11(3)12(4)13(9-2)14(5,6)7;1-4(2)3/h9-10H,2,8H2,1,3-7H3;4H,1-3H3/b11-10-,13-12+;
InChIKeyCIRRIHVCNURYPB-LDECQCHSSA-N
MW250.47 g/mol
LogP6.55
Rot. Bonds3

About (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane

(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane (PubChem CID 145382285) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane.

Molecular Properties

Compound Name(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane
PubChem CID145382285
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane
SMILESC=C/C(=C(C)\C(C)=C/CC)C(C)(C)C.CC(C)C
InChIInChI=1S/C14H24.C4H10/c1-8-10-11(3)12(4)13(9-2)14(5,6)7;1-4(2)3/h9-10H,2,8H2,1,3-7H3;4H,1-3H3/b11-10-,13-12+;
InChIKeyCIRRIHVCNURYPB-LDECQCHSSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.55
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

(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
CID 91100441
(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
CID 130420883
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane?
The IUPAC name of (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane (CID 145382285) is (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane.
What is the SMILES notation for (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane?
The canonical SMILES for (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane is C=C/C(=C(C)\C(C)=C/CC)C(C)(C)C.CC(C)C.
What is the InChIKey of (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane?
The InChIKey is CIRRIHVCNURYPB-LDECQCHSSA-N. The full InChI is InChI=1S/C14H24.C4H10/c1-8-10-11(3)12(4)13(9-2)14(5,6)7;1-4(2)3/h9-10H,2,8H2,1,3-7H3;4H,1-3H3/b11-10-,13-12+;.
What are the key properties of (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane?
(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane has a molecular weight of 250.47 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane is sourced from PubChem (CID 145382285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).