(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol

C14H22O3 — CID 11107408

IUPAC(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
SMILESC=CC[C@]1([C@@H](O)C=C)CCCCC12OCCO2
InChIInChI=1S/C14H22O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13+/m0/s1
InChIKeyXJIWYHMJWSKFFY-QWHCGFSZSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol

(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol (PubChem CID 11107408) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
PubChem CID11107408
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
SMILESC=CC[C@]1([C@@H](O)C=C)CCCCC12OCCO2
InChIInChI=1S/C14H22O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13+/m0/s1
InChIKeyXJIWYHMJWSKFFY-QWHCGFSZSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.41
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

(2R)-2-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 44232882
(6S,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 10560495
(6-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
CID 10921811
(6-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
CID 10933192
(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
CID 10999996
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
CID 11064077
(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 11413203
(6S,7S)-1,4-dioxadispiro[4.0.56.55]hexadec-9-en-7-ol
CID 11806696
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-ol
CID 21596271
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl]prop-2-en-1-ol
CID 21596272
(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
CID 101140059

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol (CID 11107408) is (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol is C=CC[C@]1([C@@H](O)C=C)CCCCC12OCCO2.
What is the InChIKey of (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol?
The InChIKey is XJIWYHMJWSKFFY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13+/m0/s1.
What are the key properties of (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol?
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 11107408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).