(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol

C11H18O3 — CID 10488185

IUPAC(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
SMILESOC/C=C/[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H18O3/c12-8-4-5-10-9-13-11(14-10)6-2-1-3-7-11/h4-5,10,12H,1-3,6-9H2/b5-4+/t10-/m0/s1
InChIKeyVXTJQSUGGUFENT-YEZKRMTDSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds2

About (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol

(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol (PubChem CID 10488185) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
PubChem CID10488185
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
SMILESOC/C=C/[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H18O3/c12-8-4-5-10-9-13-11(14-10)6-2-1-3-7-11/h4-5,10,12H,1-3,6-9H2/b5-4+/t10-/m0/s1
InChIKeyVXTJQSUGGUFENT-YEZKRMTDSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
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 (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol (CID 10488185) is (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol is OC/C=C/[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The InChIKey is VXTJQSUGGUFENT-YEZKRMTDSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-4-5-10-9-13-11(14-10)6-2-1-3-7-11/h4-5,10,12H,1-3,6-9H2/b5-4+/t10-/m0/s1.
What are the key properties of (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 10488185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).