ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

C10H18OS — CID 143175775

IUPACethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC.CSC1=CC=C(CO)CC1
InChIInChI=1S/C8H12OS.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2/h2,4,9H,3,5-6H2,1H3;1-2H3
InChIKeyFRHWKQUYQIPTGL-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.97
Rot. Bonds2

About ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 143175775) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Nameethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID143175775
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Nameethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC.CSC1=CC=C(CO)CC1
InChIInChI=1S/C8H12OS.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2/h2,4,9H,3,5-6H2,1H3;1-2H3
InChIKeyFRHWKQUYQIPTGL-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

[4-(Trifluoromethylsulfanyl)cyclohexa-1,3-dien-1-yl]methanol
CID 123853733
cis-1,2-Dihydroxy-3-methyl-6-methylthiocyclohexa-3,5-diene
CID 11182901
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
Cyclohexen-1-yl(methylsulfanyl)methanol
CID 54330648
5,6-Dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
CID 70483330
3,4-Dimethylidene-7-methylsulfanylnona-5,7-dien-1-ol
CID 123423530
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
3-(3-Ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
CID 123689040
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
CID 123978448
(6-Methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 139455904
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]-3-methyl-5,6-dimethylidene-4-methylsulfanylcyclohexa-1,3-dien-1-ol
CID 143962524
(3-Methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
CID 144526898

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (CID 143175775) is ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is CC.CSC1=CC=C(CO)CC1.
What is the InChIKey of ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is FRHWKQUYQIPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2/h2,4,9H,3,5-6H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 186.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 143175775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).