3-ethenoxyhepta-1,2-diene

C9H14O — CID 15700787

IUPAC3-ethenoxyhepta-1,2-diene
SMILESC=C=C(CCCC)OC=C
InChIInChI=1S/C9H14O/c1-4-7-8-9(5-2)10-6-3/h6H,2-4,7-8H2,1H3
InChIKeyDVLFEEVLOMCYKU-UHFFFAOYSA-N
MW138.21 g/mol
LogP3.01
Rot. Bonds5

About 3-ethenoxyhepta-1,2-diene

3-ethenoxyhepta-1,2-diene (PubChem CID 15700787) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethenoxyhepta-1,2-diene.

Molecular Properties

Compound Name3-ethenoxyhepta-1,2-diene
PubChem CID15700787
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-ethenoxyhepta-1,2-diene
SMILESC=C=C(CCCC)OC=C
InChIInChI=1S/C9H14O/c1-4-7-8-9(5-2)10-6-3/h6H,2-4,7-8H2,1H3
InChIKeyDVLFEEVLOMCYKU-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyhex-1-ene
CID 551586
1-Hexene, 2-ethoxy-
CID 10376321
2-Butoxyhex-1-ene
CID 15578219
Vinyl hexa-1,2-dien-3-yl ether
CID 145578
3-Methoxyhepta-1,2-diene
CID 12809050
6-Ethenoxyhex-1-ene
CID 12111082
2-Ethenoxyhex-1-ene
CID 18353950
2-Ethenoxypent-1-ene
CID 18620244
2-Methoxyhepta-1,6-diene
CID 88282574
2-[(Z)-prop-1-enoxy]hex-1-ene
CID 88864526
2-Pentoxyhex-1-ene
CID 89028764
1-Pent-1-en-2-yloxypentane
CID 89028844

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyhepta-1,2-diene?
The IUPAC name of 3-ethenoxyhepta-1,2-diene (CID 15700787) is 3-ethenoxyhepta-1,2-diene.
What is the SMILES notation for 3-ethenoxyhepta-1,2-diene?
The canonical SMILES for 3-ethenoxyhepta-1,2-diene is C=C=C(CCCC)OC=C.
What is the InChIKey of 3-ethenoxyhepta-1,2-diene?
The InChIKey is DVLFEEVLOMCYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-7-8-9(5-2)10-6-3/h6H,2-4,7-8H2,1H3.
What are the key properties of 3-ethenoxyhepta-1,2-diene?
3-ethenoxyhepta-1,2-diene has a molecular weight of 138.21 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyhepta-1,2-diene is sourced from PubChem (CID 15700787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).