(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol

C19H26O5 — CID 100946832

IUPAC(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol
SMILESC=Cc1ccc([C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C19H26O5/c1-6-12-7-9-13(10-8-12)15(20)17-16(23-19(4,5)24-17)14-11-21-18(2,3)22-14/h6-10,14-17,20H,1,11H2,2-5H3/t14-,15-,16-,17-/m1/s1
InChIKeyWOQOJLHKGIHYAW-QBPKDAKJSA-N
MW334.41 g/mol
LogP3.03
Rot. Bonds4

About (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol

(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol (PubChem CID 100946832) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol.

Molecular Properties

Compound Name(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol
PubChem CID100946832
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol
SMILESC=Cc1ccc([C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C19H26O5/c1-6-12-7-9-13(10-8-12)15(20)17-16(23-19(4,5)24-17)14-11-21-18(2,3)22-14/h6-10,14-17,20H,1,11H2,2-5H3/t14-,15-,16-,17-/m1/s1
InChIKeyWOQOJLHKGIHYAW-QBPKDAKJSA-N
XLogP3.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 166449238
(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypent-4-en-2-one
CID 11044782
N-benzyl-N-[(1S,2R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypent-4-en-2-yl]acetamide
CID 102374464
(Z,1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1-ol
CID 11808745
(1S,2S)-1-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 122217449
(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 11020641
(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol
CID 10937265
(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 101112584
(5S)-5-[(4R,5R)-5-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 24767235
(1R)-1-[(2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxiran-2-yl]but-3-en-1-ol
CID 132509716
1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol
CID 73334090
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524

Frequently Asked Questions

What is the IUPAC name of (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol?
The IUPAC name of (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol (CID 100946832) is (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol.
What is the SMILES notation for (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol?
The canonical SMILES for (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol is C=Cc1ccc([C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol?
The InChIKey is WOQOJLHKGIHYAW-QBPKDAKJSA-N. The full InChI is InChI=1S/C19H26O5/c1-6-12-7-9-13(10-8-12)15(20)17-16(23-19(4,5)24-17)14-11-21-18(2,3)22-14/h6-10,14-17,20H,1,11H2,2-5H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol?
(R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol has a molecular weight of 334.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-ethenylphenyl)methanol is sourced from PubChem (CID 100946832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).