(3S,5Z)-3-methylhepta-1,5-diene

C8H14 — CID 24884419

IUPAC(3S,5Z)-3-methylhepta-1,5-diene
SMILESC=C[C@@H](C)C/C=C\C
InChIInChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4-/t8-/m1/s1
InChIKeyQIWJMWAOAINRPL-RZAAKKIOSA-N
MW110.20 g/mol
LogP2.77
Rot. Bonds3

About (3S,5Z)-3-methylhepta-1,5-diene

(3S,5Z)-3-methylhepta-1,5-diene (PubChem CID 24884419) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3S,5Z)-3-methylhepta-1,5-diene.

Molecular Properties

Compound Name(3S,5Z)-3-methylhepta-1,5-diene
PubChem CID24884419
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3S,5Z)-3-methylhepta-1,5-diene
SMILESC=C[C@@H](C)C/C=C\C
InChIInChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4-/t8-/m1/s1
InChIKeyQIWJMWAOAINRPL-RZAAKKIOSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5Z)-3-methylhepta-1,5-diene?
The IUPAC name of (3S,5Z)-3-methylhepta-1,5-diene (CID 24884419) is (3S,5Z)-3-methylhepta-1,5-diene.
What is the SMILES notation for (3S,5Z)-3-methylhepta-1,5-diene?
The canonical SMILES for (3S,5Z)-3-methylhepta-1,5-diene is C=C[C@@H](C)C/C=C\C.
What is the InChIKey of (3S,5Z)-3-methylhepta-1,5-diene?
The InChIKey is QIWJMWAOAINRPL-RZAAKKIOSA-N. The full InChI is InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4-/t8-/m1/s1.
What are the key properties of (3S,5Z)-3-methylhepta-1,5-diene?
(3S,5Z)-3-methylhepta-1,5-diene has a molecular weight of 110.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z)-3-methylhepta-1,5-diene is sourced from PubChem (CID 24884419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).