(5S)-6-methylidene-1,3-dioxepan-5-ol

C6H10O3 — CID 130627257

IUPAC(5S)-6-methylidene-1,3-dioxepan-5-ol
SMILESC=C1COCOC[C@H]1O
InChIInChI=1S/C6H10O3/c1-5-2-8-4-9-3-6(5)7/h6-7H,1-4H2/t6-/m1/s1
InChIKeyHKOQLAFMNUPEKD-ZCFIWIBFSA-N
MW130.14 g/mol
LogP-0.09
Rot. Bonds

About (5S)-6-methylidene-1,3-dioxepan-5-ol

(5S)-6-methylidene-1,3-dioxepan-5-ol (PubChem CID 130627257) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (5S)-6-methylidene-1,3-dioxepan-5-ol.

Molecular Properties

Compound Name(5S)-6-methylidene-1,3-dioxepan-5-ol
PubChem CID130627257
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(5S)-6-methylidene-1,3-dioxepan-5-ol
SMILESC=C1COCOC[C@H]1O
InChIInChI=1S/C6H10O3/c1-5-2-8-4-9-3-6(5)7/h6-7H,1-4H2/t6-/m1/s1
InChIKeyHKOQLAFMNUPEKD-ZCFIWIBFSA-N
XLogP-0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-methylidene-1,3-dioxepan-5-ol?
The IUPAC name of (5S)-6-methylidene-1,3-dioxepan-5-ol (CID 130627257) is (5S)-6-methylidene-1,3-dioxepan-5-ol.
What is the SMILES notation for (5S)-6-methylidene-1,3-dioxepan-5-ol?
The canonical SMILES for (5S)-6-methylidene-1,3-dioxepan-5-ol is C=C1COCOC[C@H]1O.
What is the InChIKey of (5S)-6-methylidene-1,3-dioxepan-5-ol?
The InChIKey is HKOQLAFMNUPEKD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O3/c1-5-2-8-4-9-3-6(5)7/h6-7H,1-4H2/t6-/m1/s1.
What are the key properties of (5S)-6-methylidene-1,3-dioxepan-5-ol?
(5S)-6-methylidene-1,3-dioxepan-5-ol has a molecular weight of 130.14 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methylidene-1,3-dioxepan-5-ol is sourced from PubChem (CID 130627257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).