(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane

C12H22O2 — CID 59911123

IUPAC(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane
SMILESC=CCC(C)(OC)[C@H]1COC(C)(C)C1
InChIInChI=1S/C12H22O2/c1-6-7-12(4,13-5)10-8-11(2,3)14-9-10/h6,10H,1,7-9H2,2-5H3/t10-,12?/m1/s1
InChIKeyZVEHHBPCUBXWSI-RWANSRKNSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds4

About (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane

(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane (PubChem CID 59911123) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane
PubChem CID59911123
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane
SMILESC=CCC(C)(OC)[C@H]1COC(C)(C)C1
InChIInChI=1S/C12H22O2/c1-6-7-12(4,13-5)10-8-11(2,3)14-9-10/h6,10H,1,7-9H2,2-5H3/t10-,12?/m1/s1
InChIKeyZVEHHBPCUBXWSI-RWANSRKNSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
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

(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
CID 134931639
[(2R,3R,4R)-4-ethenyl-2-(2-methylpropyl)oxolan-3-yl]methanol
CID 134961063
(2S,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
CID 134992748
5-Allyl-2,2-diisopropyltetrahydrofuran
CID 14925028
5-Methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
CID 23385173
3,4-Bis(ethenyl)-2-methyl-5-prop-2-enyloxolane
CID 58460926
(5R)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
CID 59039597
(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
CID 59911074
(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
CID 59911112
3-Ethenyl-5-hexyl-2,2-dimethyloxolane
CID 70126022
(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane
CID 89392948
3,5-Dimethyl-2-prop-2-enyloxolane
CID 91176144

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane?
The IUPAC name of (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane (CID 59911123) is (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane.
What is the SMILES notation for (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane?
The canonical SMILES for (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane is C=CCC(C)(OC)[C@H]1COC(C)(C)C1.
What is the InChIKey of (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane?
The InChIKey is ZVEHHBPCUBXWSI-RWANSRKNSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-7-12(4,13-5)10-8-11(2,3)14-9-10/h6,10H,1,7-9H2,2-5H3/t10-,12?/m1/s1.
What are the key properties of (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane?
(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane has a molecular weight of 198.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane is sourced from PubChem (CID 59911123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).