2-[(Z)-non-6-enyl]-1,3-dioxolane

C12H22O2 — CID 10910500

IUPAC2-[(Z)-non-6-enyl]-1,3-dioxolane
SMILESCC/C=C\CCCCCC1OCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,12H,2,5-11H2,1H3/b4-3-
InChIKeyUKTMUKFVGAQZJU-ARJAWSKDSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds7

About 2-[(Z)-non-6-enyl]-1,3-dioxolane

2-[(Z)-non-6-enyl]-1,3-dioxolane (PubChem CID 10910500) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(Z)-non-6-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-non-6-enyl]-1,3-dioxolane
PubChem CID10910500
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(Z)-non-6-enyl]-1,3-dioxolane
SMILESCC/C=C\CCCCCC1OCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,12H,2,5-11H2,1H3/b4-3-
InChIKeyUKTMUKFVGAQZJU-ARJAWSKDSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
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

3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
5-Hexadecene, 16,16-diethoxy-, (5Z)-
CID 6438017
3-Tetradecene, 14,14-diethoxy-, (3E)-
CID 6450367
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
2-Non-8-enyl-1,3-dioxolane
CID 14521592
Non-8-en-2-one ethylene ketal
CID 25186484
2-Undec-10-enyl-1,3-dioxolane
CID 85604635
5-Tetradecene, 14,14-diethoxy-, (5Z)-
CID 6438018
7-Hexadecene, 1,1-diethoxy-, (7Z)-
CID 6450382
(7Z)-1,1-diethoxyhexadec-7-ene
CID 20841396
7-Hexadecene, 16,16-diethoxy-, (7Z)-
CID 20841400
3-Tetradecene, 14,14-diethoxy-, (3Z)-
CID 44151885

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-non-6-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(Z)-non-6-enyl]-1,3-dioxolane (CID 10910500) is 2-[(Z)-non-6-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-non-6-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-non-6-enyl]-1,3-dioxolane is CC/C=C\CCCCCC1OCCO1.
What is the InChIKey of 2-[(Z)-non-6-enyl]-1,3-dioxolane?
The InChIKey is UKTMUKFVGAQZJU-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h3-4,12H,2,5-11H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-non-6-enyl]-1,3-dioxolane?
2-[(Z)-non-6-enyl]-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-non-6-enyl]-1,3-dioxolane is sourced from PubChem (CID 10910500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).