2-[(Z)-hept-1-enyl]-1,3-dioxolane

C10H18O2 — CID 102164919

IUPAC2-[(Z)-hept-1-enyl]-1,3-dioxolane
SMILESCCCCC/C=C\C1OCCO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKeyAUUVWXOERZWIFC-SREVYHEPSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds5

About 2-[(Z)-hept-1-enyl]-1,3-dioxolane

2-[(Z)-hept-1-enyl]-1,3-dioxolane (PubChem CID 102164919) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(Z)-hept-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-hept-1-enyl]-1,3-dioxolane
PubChem CID102164919
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(Z)-hept-1-enyl]-1,3-dioxolane
SMILESCCCCC/C=C\C1OCCO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKeyAUUVWXOERZWIFC-SREVYHEPSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
Geranial propylene glycol acetal
CID 5338463
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
Citracetal
CID 1615097
2,6-Nonadienal diethyl acetal
CID 6437114
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hept-1-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(Z)-hept-1-enyl]-1,3-dioxolane (CID 102164919) is 2-[(Z)-hept-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-hept-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-hept-1-enyl]-1,3-dioxolane is CCCCC/C=C\C1OCCO1.
What is the InChIKey of 2-[(Z)-hept-1-enyl]-1,3-dioxolane?
The InChIKey is AUUVWXOERZWIFC-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-.
What are the key properties of 2-[(Z)-hept-1-enyl]-1,3-dioxolane?
2-[(Z)-hept-1-enyl]-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hept-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 102164919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).