[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol

C14H24O5 — CID 14108198

IUPAC[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol
SMILESOC[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2
InChIInChI=1S/C14H24O5/c15-10-11-9-14(17-7-8-18-14)5-4-12(11)19-13-3-1-2-6-16-13/h11-13,15H,1-10H2/t11-,12-,13?/m0/s1
InChIKeyMLRBDYWZTDCCQE-VYAYZGMFSA-N
MW272.34 g/mol
LogP1.43
Rot. Bonds3

About [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol

[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol (PubChem CID 14108198) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol.

Molecular Properties

Compound Name[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol
PubChem CID14108198
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol
SMILESOC[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2
InChIInChI=1S/C14H24O5/c15-10-11-9-14(17-7-8-18-14)5-4-12(11)19-13-3-1-2-6-16-13/h11-13,15H,1-10H2/t11-,12-,13?/m0/s1
InChIKeyMLRBDYWZTDCCQE-VYAYZGMFSA-N
XLogP1.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol?
The IUPAC name of [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol (CID 14108198) is [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol.
What is the SMILES notation for [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol?
The canonical SMILES for [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol is OC[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2.
What is the InChIKey of [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol?
The InChIKey is MLRBDYWZTDCCQE-VYAYZGMFSA-N. The full InChI is InChI=1S/C14H24O5/c15-10-11-9-14(17-7-8-18-14)5-4-12(11)19-13-3-1-2-6-16-13/h11-13,15H,1-10H2/t11-,12-,13?/m0/s1.
What are the key properties of [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol?
[(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol has a molecular weight of 272.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decan-7-yl]methanol is sourced from PubChem (CID 14108198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).