1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol

C11H20OS — CID 123682573

IUPAC1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol
SMILESCS(C)(C)CC(O)C1=CC=CCC1
InChIInChI=1S/C11H20OS/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h4-5,7,11-12H,6,8-9H2,1-3H3
InChIKeyJXDDLBDMWBKIQA-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.32
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol

1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol (PubChem CID 123682573) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol
PubChem CID123682573
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol
SMILESCS(C)(C)CC(O)C1=CC=CCC1
InChIInChI=1S/C11H20OS/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h4-5,7,11-12H,6,8-9H2,1-3H3
InChIKeyJXDDLBDMWBKIQA-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
CID 173164220
2-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 118601022
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
1-[(2R)-1-bromopropan-2-yl]cyclohexa-1,3-diene
CID 10921559
1-(2,2-dimethylpentan-3-yl)cyclohexa-1,3-diene;ethane
CID 172627544
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
1-iodocyclohexa-1,3-diene
CID 527549
2-cyclohexa-1,3-dien-1-yl-2-(dipropylamino)acetic acid
CID 123654210
1-cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol (CID 123682573) is 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol is CS(C)(C)CC(O)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol?
The InChIKey is JXDDLBDMWBKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-13(2,3)9-11(12)10-7-5-4-6-8-10/h4-5,7,11-12H,6,8-9H2,1-3H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol?
1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol has a molecular weight of 200.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol is sourced from PubChem (CID 123682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).