(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane

C12H22O2 — CID 42631026

IUPAC(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1
InChIKeyFOCPFBLGXLZXPH-LLVKDONJSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane

(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 42631026) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
PubChem CID42631026
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1
InChIKeyFOCPFBLGXLZXPH-LLVKDONJSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
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

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
6,6-Ethylenedioxy-2-methyl-hept-1-ene
CID 10975921
2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
1,4-Dioxaspiro[4.16]henicosa-12,13-diene
CID 11277786
4-(But-3-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 10898938
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
2,2-Bis(but-3-enyl)-1,3-dioxolane
CID 121218097
9-Octadecenyl-1-O-glycerol, isopropylidene derivative
CID 13374781
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane (CID 42631026) is (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane is C=CCCCCC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FOCPFBLGXLZXPH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 42631026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).