(2Z,4E)-4-prop-1-ynylhepta-2,4-diene

C10H14 — CID 143706304

IUPAC(2Z,4E)-4-prop-1-ynylhepta-2,4-diene
SMILESCC#CC(/C=C\C)=C/CC
InChIInChI=1S/C10H14/c1-4-7-10(8-5-2)9-6-3/h4,7-8H,5H2,1-3H3/b7-4-,10-8+
InChIKeyJROHCMKDGVGEDU-WIXOJMCHSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About (2Z,4E)-4-prop-1-ynylhepta-2,4-diene

(2Z,4E)-4-prop-1-ynylhepta-2,4-diene (PubChem CID 143706304) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (2Z,4E)-4-prop-1-ynylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-prop-1-ynylhepta-2,4-diene
PubChem CID143706304
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(2Z,4E)-4-prop-1-ynylhepta-2,4-diene
SMILESCC#CC(/C=C\C)=C/CC
InChIInChI=1S/C10H14/c1-4-7-10(8-5-2)9-6-3/h4,7-8H,5H2,1-3H3/b7-4-,10-8+
InChIKeyJROHCMKDGVGEDU-WIXOJMCHSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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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Related Compounds

4-ethynylhepta-2,4-diene
CID 90938785
(E)-hept-2-en-5-yn-4-one
CID 10510823
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(E)-non-2-en-7-yn-4-one
CID 103453391
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
N-methyl-3-prop-1-enylhex-3-en-2-amine
CID 123966839
2-methylpropane;(Z)-4-propylhept-4-en-2-yne
CID 144516980
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine
CID 118069441
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
CID 142050901
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-prop-1-ynylhepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-prop-1-ynylhepta-2,4-diene (CID 143706304) is (2Z,4E)-4-prop-1-ynylhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-prop-1-ynylhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-prop-1-ynylhepta-2,4-diene is CC#CC(/C=C\C)=C/CC.
What is the InChIKey of (2Z,4E)-4-prop-1-ynylhepta-2,4-diene?
The InChIKey is JROHCMKDGVGEDU-WIXOJMCHSA-N. The full InChI is InChI=1S/C10H14/c1-4-7-10(8-5-2)9-6-3/h4,7-8H,5H2,1-3H3/b7-4-,10-8+.
What are the key properties of (2Z,4E)-4-prop-1-ynylhepta-2,4-diene?
(2Z,4E)-4-prop-1-ynylhepta-2,4-diene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-prop-1-ynylhepta-2,4-diene is sourced from PubChem (CID 143706304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).