(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane

C10H18O2 — CID 21178132

IUPAC(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
SMILESCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h6-7,9H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1
InChIKeyCHBQCMFIEDRHFP-UCUJLANTSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds3

About (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane (PubChem CID 21178132) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
PubChem CID21178132
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
SMILESCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h6-7,9H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1
InChIKeyCHBQCMFIEDRHFP-UCUJLANTSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-enyl acetate
CID 71174193
(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
CID 11172648
(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11242062
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate
CID 102039785
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(4S)-2,2-dimethyl-4-[(E)-oct-1-en-3-ynyl]-1,3-dioxolane
CID 101369071

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane (CID 21178132) is (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane is CCC/C=C/[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane?
The InChIKey is CHBQCMFIEDRHFP-UCUJLANTSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h6-7,9H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 21178132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).