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

C11H18O3 — CID 13182088

IUPAC(Z)-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-LWTINBJPSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds2

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

(Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol (PubChem CID 13182088) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
PubChem CID13182088
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(Z)-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-LWTINBJPSA-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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Related Compounds

(E)-4-(1,4-dioxaspiro[4.5]decan-3-yl)but-3-en-2-one
CID 15758947
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 11358549
(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane
CID 91491545
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
1-[[(3S)-1,4-dioxaspiro[4.11]hexadecan-3-yl]methyl]piperidin-1-ium
CID 7123569
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 13483391
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
CID 22827171
CID 22827171
2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]guanidine
CID 45356255
[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]methanol
CID 62019901

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol (CID 13182088) is (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-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 (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
The InChIKey is VXTJQSUGGUFENT-LWTINBJPSA-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 (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol?
(Z)-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 (Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 13182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).