(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol

C14H18O2 — CID 155077299

IUPAC(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol
SMILESO[C@@H]1COCCCC12Cc1ccccc1C2
InChIInChI=1S/C14H18O2/c15-13-10-16-7-3-6-14(13)8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13,15H,3,6-10H2/t13-/m1/s1
InChIKeyDUPOBGMHKCWFAR-CYBMUJFWSA-N
MW218.30 g/mol
LogP1.94
Rot. Bonds

About (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol

(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol (PubChem CID 155077299) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol.

Molecular Properties

Compound Name(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol
PubChem CID155077299
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol
SMILESO[C@@H]1COCCCC12Cc1ccccc1C2
InChIInChI=1S/C14H18O2/c15-13-10-16-7-3-6-14(13)8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13,15H,3,6-10H2/t13-/m1/s1
InChIKeyDUPOBGMHKCWFAR-CYBMUJFWSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol?
The IUPAC name of (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol (CID 155077299) is (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol.
What is the SMILES notation for (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol?
The canonical SMILES for (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol is O[C@@H]1COCCCC12Cc1ccccc1C2.
What is the InChIKey of (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol?
The InChIKey is DUPOBGMHKCWFAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-10-16-7-3-6-14(13)8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13,15H,3,6-10H2/t13-/m1/s1.
What are the key properties of (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol?
(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol has a molecular weight of 218.30 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol is sourced from PubChem (CID 155077299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).