2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane

C12H20O2 — CID 10465284

IUPAC2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane
SMILESC=CC[C@@]1(C)CC[C@@H]1C1(C)OCCO1
InChIInChI=1S/C12H20O2/c1-4-6-11(2)7-5-10(11)12(3)13-8-9-14-12/h4,10H,1,5-9H2,2-3H3/t10-,11-/m0/s1
InChIKeyBOICBZBYBNTXRF-QWRGUYRKSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane

2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane (PubChem CID 10465284) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane
PubChem CID10465284
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane
SMILESC=CC[C@@]1(C)CC[C@@H]1C1(C)OCCO1
InChIInChI=1S/C12H20O2/c1-4-6-11(2)7-5-10(11)12(3)13-8-9-14-12/h4,10H,1,5-9H2,2-3H3/t10-,11-/m0/s1
InChIKeyBOICBZBYBNTXRF-QWRGUYRKSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
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

(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 10012521
(1'S,6'S,8'R)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 10081007
9-Ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
CID 71763484
(4S)-4-[(1R)-1-cyclopentylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101801450
9-But-3-enyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 317034
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-enyl)ethyl][1,3]dioxolane
CID 560211
7-But-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane
CID 10632273
(1'R,6'R,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 101661117
(1'R,6'R,8'R)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 101661118
8'-Methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 13958018
2-(1-Ethenylcyclopropyl)-2-heptyl-1,3-dioxolane
CID 22042452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane (CID 10465284) is 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane is C=CC[C@@]1(C)CC[C@@H]1C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane?
The InChIKey is BOICBZBYBNTXRF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-11(2)7-5-10(11)12(3)13-8-9-14-12/h4,10H,1,5-9H2,2-3H3/t10-,11-/m0/s1.
What are the key properties of 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane?
2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane is sourced from PubChem (CID 10465284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).