(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane

C15H15BrO2 — CID 134947606

IUPAC(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
SMILESCC1(C)CO[C@H](c2ccc3cc(Br)ccc3c2)O1
InChIInChI=1S/C15H15BrO2/c1-15(2)9-17-14(18-15)12-4-3-11-8-13(16)6-5-10(11)7-12/h3-8,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyKMZZWVWGJUMNAL-AWEZNQCLSA-N
MW307.19 g/mol
LogP4.43
Rot. Bonds1

About (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane

(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane (PubChem CID 134947606) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
PubChem CID134947606
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
SMILESCC1(C)CO[C@H](c2ccc3cc(Br)ccc3c2)O1
InChIInChI=1S/C15H15BrO2/c1-15(2)9-17-14(18-15)12-4-3-11-8-13(16)6-5-10(11)7-12/h3-8,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyKMZZWVWGJUMNAL-AWEZNQCLSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-naphthalen-2-yl-1,3-dioxolane
CID 168330162
(2S,4R)-4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-naphthalen-2-yl-1,3-dioxolane
CID 168330163
2-Naphthalen-2-yl-1,3-dioxolane
CID 11333127
2-Methyl-2-(naphthalen-2-yl)-1,3-dioxolane
CID 12494640
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
1-Bromo-3-[2,2,2-trifluoro-1-(methoxymethoxy)ethyl]naphthalene
CID 164519749
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
1,3-Dioxolane, 2-(bromomethyl)-2-(2-naphthalenyl)-
CID 607997
2-(1-Bromonaphthalen-2-yl)-1,3-dioxolane
CID 10660291
2-(R)-ethoxy-5,5-di(4-bromophenyl)tetrahydrofuran
CID 46863135
2-(9-Bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
CID 134842225
2-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane?
The IUPAC name of (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane (CID 134947606) is (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane.
What is the SMILES notation for (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane?
The canonical SMILES for (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane is CC1(C)CO[C@H](c2ccc3cc(Br)ccc3c2)O1.
What is the InChIKey of (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane?
The InChIKey is KMZZWVWGJUMNAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-15(2)9-17-14(18-15)12-4-3-11-8-13(16)6-5-10(11)7-12/h3-8,14H,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane?
(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane has a molecular weight of 307.19 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane is sourced from PubChem (CID 134947606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).