(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane

C13H24O2 — CID 6941978

IUPAC(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeySINVOSHMYMFFRE-GHMZBOCLSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds4

About (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane

(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane (PubChem CID 6941978) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
PubChem CID6941978
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeySINVOSHMYMFFRE-GHMZBOCLSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
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

2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
CID 527249
(3S)-5-(3,3-dimethyloxiran-2-yl)pent-1-en-3-amine
CID 146180433
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
7a-methyl-1-[4-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 22983275
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
CID 101088823
(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 54577276
2,2,4,4-tetramethyl-5-[(E)-6,6,11-trimethyl-3-methylidene-9-[2-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)ethyl]tridec-8-enyl]-1,3-dioxolane
CID 176736394
(5R)-2,2,4,4-tetramethyl-5-[(5S)-5-methyl-7-phenylmethoxyheptyl]-1,3-dioxolane
CID 11089376
3,6-dimethylhept-1-ene
CID 18443713
S-tert-butyl 4-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanethioate
CID 11108989
(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 134930972

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The IUPAC name of (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane (CID 6941978) is (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane.
What is the SMILES notation for (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The canonical SMILES for (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane is C=C[C@@H](C)CC[C@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The InChIKey is SINVOSHMYMFFRE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1.
What are the key properties of (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane is sourced from PubChem (CID 6941978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).