(3Z)-3,6,6-trimethylhepta-1,3-diene

C10H18 — CID 143290356

IUPAC(3Z)-3,6,6-trimethylhepta-1,3-diene
SMILESC=C/C(C)=C\CC(C)(C)C
InChIInChI=1S/C10H18/c1-6-9(2)7-8-10(3,4)5/h6-7H,1,8H2,2-5H3/b9-7-
InChIKeyODSTXGSCEHFECP-CLFYSBASSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds2

About (3Z)-3,6,6-trimethylhepta-1,3-diene

(3Z)-3,6,6-trimethylhepta-1,3-diene (PubChem CID 143290356) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3Z)-3,6,6-trimethylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3,6,6-trimethylhepta-1,3-diene
PubChem CID143290356
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3Z)-3,6,6-trimethylhepta-1,3-diene
SMILESC=C/C(C)=C\CC(C)(C)C
InChIInChI=1S/C10H18/c1-6-9(2)7-8-10(3,4)5/h6-7H,1,8H2,2-5H3/b9-7-
InChIKeyODSTXGSCEHFECP-CLFYSBASSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3,6,6-trimethylhepta-1,3-diene?
The IUPAC name of (3Z)-3,6,6-trimethylhepta-1,3-diene (CID 143290356) is (3Z)-3,6,6-trimethylhepta-1,3-diene.
What is the SMILES notation for (3Z)-3,6,6-trimethylhepta-1,3-diene?
The canonical SMILES for (3Z)-3,6,6-trimethylhepta-1,3-diene is C=C/C(C)=C\CC(C)(C)C.
What is the InChIKey of (3Z)-3,6,6-trimethylhepta-1,3-diene?
The InChIKey is ODSTXGSCEHFECP-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18/c1-6-9(2)7-8-10(3,4)5/h6-7H,1,8H2,2-5H3/b9-7-.
What are the key properties of (3Z)-3,6,6-trimethylhepta-1,3-diene?
(3Z)-3,6,6-trimethylhepta-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,6,6-trimethylhepta-1,3-diene is sourced from PubChem (CID 143290356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).