2-methyl-5-propan-2-ylhepta-1,3,5-triene

C11H18 — CID 76662883

IUPAC2-methyl-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(C)C=CC(=CC)C(C)C
InChIInChI=1S/C11H18/c1-6-11(10(4)5)8-7-9(2)3/h6-8,10H,2H2,1,3-5H3
InChIKeyQDRGGYFFYAVXDH-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds3

About 2-methyl-5-propan-2-ylhepta-1,3,5-triene

2-methyl-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 76662883) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylhepta-1,3,5-triene
PubChem CID76662883
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-methyl-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(C)C=CC(=CC)C(C)C
InChIInChI=1S/C11H18/c1-6-11(10(4)5)8-7-9(2)3/h6-8,10H,2H2,1,3-5H3
InChIKeyQDRGGYFFYAVXDH-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
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

ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
CID 143550597
(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
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142308871
4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine
CID 143431934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of 2-methyl-5-propan-2-ylhepta-1,3,5-triene (CID 76662883) is 2-methyl-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for 2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for 2-methyl-5-propan-2-ylhepta-1,3,5-triene is C=C(C)C=CC(=CC)C(C)C.
What is the InChIKey of 2-methyl-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is QDRGGYFFYAVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-6-11(10(4)5)8-7-9(2)3/h6-8,10H,2H2,1,3-5H3.
What are the key properties of 2-methyl-5-propan-2-ylhepta-1,3,5-triene?
2-methyl-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 76662883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).