(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol

C13H26OS — CID 144831329

IUPAC(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol
SMILESC=CC(C)(C)CC(C)(C)CC[C@H](O)CS
InChIInChI=1S/C13H26OS/c1-6-12(2,3)10-13(4,5)8-7-11(14)9-15/h6,11,14-15H,1,7-10H2,2-5H3/t11-/m0/s1
InChIKeyLRTZVJCPMJWBAH-NSHDSACASA-N
MW230.42 g/mol
LogP3.69
Rot. Bonds7

About (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol

(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol (PubChem CID 144831329) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol.

Molecular Properties

Compound Name(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol
PubChem CID144831329
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol
SMILESC=CC(C)(C)CC(C)(C)CC[C@H](O)CS
InChIInChI=1S/C13H26OS/c1-6-12(2,3)10-13(4,5)8-7-11(14)9-15/h6,11,14-15H,1,7-10H2,2-5H3/t11-/m0/s1
InChIKeyLRTZVJCPMJWBAH-NSHDSACASA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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7-methoxy-7-methyloct-1-en-4-ol
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6,6-dimethyloct-1-en-3-ol
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2,2,8,8-tetramethylnonan-5-ol
CID 19931306
3,3,6-trimethyloct-1-ene
CID 123906537
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
CID 89193381
methane;prop-1-ene;3,3,5,5-tetramethylhex-1-ene
CID 142214554
(2S)-4-amino-1-sulfanylbutan-2-ol
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2,2,4,4-tetramethylhex-5-eneperoxoic acid
CID 88598611
3,3,6,7,8-pentamethylnon-1-ene
CID 123898570

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol?
The IUPAC name of (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol (CID 144831329) is (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol.
What is the SMILES notation for (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol?
The canonical SMILES for (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol is C=CC(C)(C)CC(C)(C)CC[C@H](O)CS.
What is the InChIKey of (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol?
The InChIKey is LRTZVJCPMJWBAH-NSHDSACASA-N. The full InChI is InChI=1S/C13H26OS/c1-6-12(2,3)10-13(4,5)8-7-11(14)9-15/h6,11,14-15H,1,7-10H2,2-5H3/t11-/m0/s1.
What are the key properties of (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol?
(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol has a molecular weight of 230.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol is sourced from PubChem (CID 144831329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).