(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]

C15H19BrO — CID 138984040

IUPAC(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]
SMILESCC1(C)CC[C@]2(CCc3ccc(Br)cc3C2)O1
InChIInChI=1S/C15H19BrO/c1-14(2)7-8-15(17-14)6-5-11-3-4-13(16)9-12(11)10-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m0/s1
InChIKeyOSQOOMAFWXRVFK-HNNXBMFYSA-N
MW295.22 g/mol
LogP4.27
Rot. Bonds

About (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]

(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane] (PubChem CID 138984040) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane].

Molecular Properties

Compound Name(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]
PubChem CID138984040
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]
SMILESCC1(C)CC[C@]2(CCc3ccc(Br)cc3C2)O1
InChIInChI=1S/C15H19BrO/c1-14(2)7-8-15(17-14)6-5-11-3-4-13(16)9-12(11)10-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m0/s1
InChIKeyOSQOOMAFWXRVFK-HNNXBMFYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]?
The IUPAC name of (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane] (CID 138984040) is (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane].
What is the SMILES notation for (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]?
The canonical SMILES for (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane] is CC1(C)CC[C@]2(CCc3ccc(Br)cc3C2)O1.
What is the InChIKey of (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]?
The InChIKey is OSQOOMAFWXRVFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-14(2)7-8-15(17-14)6-5-11-3-4-13(16)9-12(11)10-15/h3-4,9H,5-8,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane]?
(3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane] has a molecular weight of 295.22 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,2'-oxolane] is sourced from PubChem (CID 138984040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).