(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran

C14H22O5 — CID 134930515

IUPAC(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESC=C1C[C@H]2OC(C)(C)O[C@H]2C([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C14H22O5/c1-8-6-9-12(19-14(4,5)17-9)11(16-8)10-7-15-13(2,3)18-10/h9-12H,1,6-7H2,2-5H3/t9-,10-,11?,12-/m1/s1
InChIKeyRUGSOBSZYOXKLU-MAPNCKNWSA-N
MW270.32 g/mol
LogP1.96
Rot. Bonds1

About (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran

(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran (PubChem CID 134930515) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
PubChem CID134930515
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESC=C1C[C@H]2OC(C)(C)O[C@H]2C([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C14H22O5/c1-8-6-9-12(19-14(4,5)17-9)11(16-8)10-7-15-13(2,3)18-10/h9-12H,1,6-7H2,2-5H3/t9-,10-,11?,12-/m1/s1
InChIKeyRUGSOBSZYOXKLU-MAPNCKNWSA-N
XLogP1.96
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 11500364
(3'aR,4R,7'aR)-2,2,2',2'-tetramethyl-7'-methylidenespiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]
CID 134856114
(7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 134939051
(1R,2S,6S,9R)-6-(3,3-difluoroprop-2-enyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 21578429
(1R,2S,6S,9R)-6-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 22842876
(1R,2S,6R,9R)-6-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 53959014
(2S,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-en-2-yl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 58013643
(1R,2S,6S,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-en-2-yl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 66915906
(1S,8R,9S)-8-(but-1-en-2-yloxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 68215484
(1S,8R,9S)-8-(hex-1-en-2-yloxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 68234393
(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-en-2-yl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 70451173
(1S,8R,9S)-4,4,11,11-tetramethyl-8-(prop-1-en-2-yloxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 89323812

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran (CID 134930515) is (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran is C=C1C[C@H]2OC(C)(C)O[C@H]2C([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is RUGSOBSZYOXKLU-MAPNCKNWSA-N. The full InChI is InChI=1S/C14H22O5/c1-8-6-9-12(19-14(4,5)17-9)11(16-8)10-7-15-13(2,3)18-10/h9-12H,1,6-7H2,2-5H3/t9-,10-,11?,12-/m1/s1.
What are the key properties of (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 270.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 134930515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).