3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol

C10H18OS — CID 146603730

IUPAC3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol
SMILESC=C(C)SC(C)(C=CC)C(C)O
InChIInChI=1S/C10H18OS/c1-6-7-10(5,9(4)11)12-8(2)3/h6-7,9,11H,2H2,1,3-5H3
InChIKeyVISIAAVLCLQBBL-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol

3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol (PubChem CID 146603730) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol.

Molecular Properties

Compound Name3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol
PubChem CID146603730
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol
SMILESC=C(C)SC(C)(C=CC)C(C)O
InChIInChI=1S/C10H18OS/c1-6-7-10(5,9(4)11)12-8(2)3/h6-7,9,11H,2H2,1,3-5H3
InChIKeyVISIAAVLCLQBBL-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
Tert-butyl 3-hydroxyhex-5-enedithioate
CID 134988679
(E,2R,3S)-4-tert-butylsulfanyl-1,1,1-trifluoro-3-methylhept-4-en-2-ol
CID 101999650
(Z,2R,3S)-4-tert-butylsulfanyl-1,1,1-trifluoro-3-methylhept-4-en-2-ol
CID 101999651
(E,2R,3R)-4-tert-butylsulfanyl-1,1,1-trifluoro-3-methylhept-4-en-2-ol
CID 101999654
(Z,2R,3R)-4-tert-butylsulfanyl-1,1,1-trifluoro-3-methylhept-4-en-2-ol
CID 101999655
6-Hydroxy-7-methyl-oct-3-enedithioic acid, isopropyl ester
CID 5368960
(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
CID 59931985
1-(2-Hydroxyhex-4-enylsulfanyl)hex-4-en-2-ol
CID 141429813
1-(Cyclohexa-2,4-dien-1-ylmethylsulfanyl)butan-2-ol
CID 142016588
(5Z)-3-butylsulfanyl-7-methylocta-1,5-dien-4-ol
CID 166812762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol?
The IUPAC name of 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol (CID 146603730) is 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol.
What is the SMILES notation for 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol?
The canonical SMILES for 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol is C=C(C)SC(C)(C=CC)C(C)O.
What is the InChIKey of 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol?
The InChIKey is VISIAAVLCLQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-6-7-10(5,9(4)11)12-8(2)3/h6-7,9,11H,2H2,1,3-5H3.
What are the key properties of 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol?
3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol has a molecular weight of 186.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-1-en-2-ylsulfanylhex-4-en-2-ol is sourced from PubChem (CID 146603730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).