(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane

C12H20O3 — CID 102000893

IUPAC(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane
SMILESC/C=C\OC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,8,11H,3-7,9-10H2,1H3/b8-2-/t11-/m0/s1
InChIKeyKDYNSCGKFJEFRG-BZCFKMEZSA-N
MW212.29 g/mol
LogP2.61
Rot. Bonds3

About (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane

(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 102000893) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID102000893
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane
SMILESC/C=C\OC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,8,11H,3-7,9-10H2,1H3/b8-2-/t11-/m0/s1
InChIKeyKDYNSCGKFJEFRG-BZCFKMEZSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(2R)-2,3-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135009607
(3R)-3-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135009652
(3R)-3-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135009906
2-(Allyloxy)-2-methyl-1,4-dioxaspiro[4.5]decane
CID 169448036
(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 15449905
3-(Prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 85702162
(3S)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 89463791
(3R)-3-[(1S)-1-prop-2-enoxybutyl]-1,4-dioxaspiro[4.5]decane
CID 141885165
3-But-3-enyl-1,4-dioxaspiro[4.5]decane
CID 141885188
2,2-Diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 150159408
2-Ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane
CID 152501285
8-Prop-1-en-2-yloxy-1,4-dioxaspiro[4.5]decane
CID 167284501

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane (CID 102000893) is (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane is C/C=C\OC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is KDYNSCGKFJEFRG-BZCFKMEZSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,8,11H,3-7,9-10H2,1H3/b8-2-/t11-/m0/s1.
What are the key properties of (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane?
(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 102000893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).