(3Z)-5-methylhepta-1,3-dien-6-yne

C8H10 — CID 142224471

IUPAC(3Z)-5-methylhepta-1,3-dien-6-yne
SMILESC#CC(C)/C=C\C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h2,4,6-8H,1H2,3H3/b7-6-
InChIKeyNHWNLELVZYNRNX-SREVYHEPSA-N
MW106.17 g/mol
LogP2.00
Rot. Bonds2

About (3Z)-5-methylhepta-1,3-dien-6-yne

(3Z)-5-methylhepta-1,3-dien-6-yne (PubChem CID 142224471) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (3Z)-5-methylhepta-1,3-dien-6-yne.

Molecular Properties

Compound Name(3Z)-5-methylhepta-1,3-dien-6-yne
PubChem CID142224471
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(3Z)-5-methylhepta-1,3-dien-6-yne
SMILESC#CC(C)/C=C\C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h2,4,6-8H,1H2,3H3/b7-6-
InChIKeyNHWNLELVZYNRNX-SREVYHEPSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylhepta-1,3-dien-6-yne?
The IUPAC name of (3Z)-5-methylhepta-1,3-dien-6-yne (CID 142224471) is (3Z)-5-methylhepta-1,3-dien-6-yne.
What is the SMILES notation for (3Z)-5-methylhepta-1,3-dien-6-yne?
The canonical SMILES for (3Z)-5-methylhepta-1,3-dien-6-yne is C#CC(C)/C=C\C=C.
What is the InChIKey of (3Z)-5-methylhepta-1,3-dien-6-yne?
The InChIKey is NHWNLELVZYNRNX-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10/c1-4-6-7-8(3)5-2/h2,4,6-8H,1H2,3H3/b7-6-.
What are the key properties of (3Z)-5-methylhepta-1,3-dien-6-yne?
(3Z)-5-methylhepta-1,3-dien-6-yne has a molecular weight of 106.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylhepta-1,3-dien-6-yne is sourced from PubChem (CID 142224471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).