(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane

C13H24 — CID 143550597

IUPAC(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
SMILESC.C=C(C)/C=C\C(=C(C)C)C(C)C
InChIInChI=1S/C12H20.CH4/c1-9(2)7-8-12(10(3)4)11(5)6;/h7-8,10H,1H2,2-6H3;1H4/b8-7-;
InChIKeyOOKIOQYZGSQCCQ-CFYXSCKTSA-N
MW180.33 g/mol
LogP4.75
Rot. Bonds3

About (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane

(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane (PubChem CID 143550597) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane.

Molecular Properties

Compound Name(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
PubChem CID143550597
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
SMILESC.C=C(C)/C=C\C(=C(C)C)C(C)C
InChIInChI=1S/C12H20.CH4/c1-9(2)7-8-12(10(3)4)11(5)6;/h7-8,10H,1H2,2-6H3;1H4/b8-7-;
InChIKeyOOKIOQYZGSQCCQ-CFYXSCKTSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.75
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)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
CID 5363138
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane
CID 143986443
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane?
The IUPAC name of (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane (CID 143550597) is (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane.
What is the SMILES notation for (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane?
The canonical SMILES for (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane is C.C=C(C)/C=C\C(=C(C)C)C(C)C.
What is the InChIKey of (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane?
The InChIKey is OOKIOQYZGSQCCQ-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H20.CH4/c1-9(2)7-8-12(10(3)4)11(5)6;/h7-8,10H,1H2,2-6H3;1H4/b8-7-;.
What are the key properties of (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane?
(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane has a molecular weight of 180.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane is sourced from PubChem (CID 143550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).