4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene

C14H18S — CID 54068249

IUPAC4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene
SMILESC=C(C)c1ccc2c(c1)C(C)(C)CCS2
InChIInChI=1S/C14H18S/c1-10(2)11-5-6-13-12(9-11)14(3,4)7-8-15-13/h5-6,9H,1,7-8H2,2-4H3
InChIKeyMEOKWXPGNSKNTM-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.49
Rot. Bonds1

About 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene

4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene (PubChem CID 54068249) has the molecular formula C14H18S and a molecular weight of 218.36 g/mol. Its IUPAC name is 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene
PubChem CID54068249
Molecular FormulaC14H18S
Molecular Weight218.36 g/mol
Exact Mass218.11
IUPAC Name4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene
SMILESC=C(C)c1ccc2c(c1)C(C)(C)CCS2
InChIInChI=1S/C14H18S/c1-10(2)11-5-6-13-12(9-11)14(3,4)7-8-15-13/h5-6,9H,1,7-8H2,2-4H3
InChIKeyMEOKWXPGNSKNTM-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene?
The IUPAC name of 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene (CID 54068249) is 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene.
What is the SMILES notation for 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene?
The canonical SMILES for 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene is C=C(C)c1ccc2c(c1)C(C)(C)CCS2.
What is the InChIKey of 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene?
The InChIKey is MEOKWXPGNSKNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-10(2)11-5-6-13-12(9-11)14(3,4)7-8-15-13/h5-6,9H,1,7-8H2,2-4H3.
What are the key properties of 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene?
4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene has a molecular weight of 218.36 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydrothiochromene is sourced from PubChem (CID 54068249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).