(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol

C12H20OS2 — CID 10243572

IUPAC(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol
SMILESC=CC[C@H]1C[C@H](O)C[C@]2(CCCCS2)S1
InChIInChI=1S/C12H20OS2/c1-2-5-11-8-10(13)9-12(15-11)6-3-4-7-14-12/h2,10-11,13H,1,3-9H2/t10-,11-,12-/m0/s1
InChIKeyNMIBJMUKRPIEOE-SRVKXCTJSA-N
MW244.42 g/mol
LogP3.43
Rot. Bonds2

About (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol

(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol (PubChem CID 10243572) has the molecular formula C12H20OS2 and a molecular weight of 244.42 g/mol. Its IUPAC name is (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol
PubChem CID10243572
Molecular FormulaC12H20OS2
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Name(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol
SMILESC=CC[C@H]1C[C@H](O)C[C@]2(CCCCS2)S1
InChIInChI=1S/C12H20OS2/c1-2-5-11-8-10(13)9-12(15-11)6-3-4-7-14-12/h2,10-11,13H,1,3-9H2/t10-,11-,12-/m0/s1
InChIKeyNMIBJMUKRPIEOE-SRVKXCTJSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.43
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

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CID 132562581
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CID 57044967
1,5-dithiaspiro[5.5]undecan-3-ol
CID 22891774
5-ethenyl-3,3-dimethylcyclohexan-1-ol
CID 58534468
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclodecan-1-ol
CID 102287484
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
CID 115410369
7-prop-2-enylspiro[2.5]octane
CID 163452278
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
cis-(2S,4S)-4-hydroxy-1-methyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 67842177

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol (CID 10243572) is (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol is C=CC[C@H]1C[C@H](O)C[C@]2(CCCCS2)S1.
What is the InChIKey of (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol?
The InChIKey is NMIBJMUKRPIEOE-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H20OS2/c1-2-5-11-8-10(13)9-12(15-11)6-3-4-7-14-12/h2,10-11,13H,1,3-9H2/t10-,11-,12-/m0/s1.
What are the key properties of (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol?
(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol has a molecular weight of 244.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 10243572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).