(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

C9H14OS — CID 139455904

IUPAC(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCSC1=CC=C(CO)C(C)C1
InChIInChI=1S/C9H14OS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyIQNZFCXUEHXTJN-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.19
Rot. Bonds2

About (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 139455904) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID139455904
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCSC1=CC=C(CO)C(C)C1
InChIInChI=1S/C9H14OS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyIQNZFCXUEHXTJN-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (CID 139455904) is (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is CSC1=CC=C(CO)C(C)C1.
What is the InChIKey of (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is IQNZFCXUEHXTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
(6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 170.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 139455904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).