3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane

C16H30S — CID 20583875

IUPAC3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
SMILESCC1CCC(C(C)C)C2(C1)CC(C)C(C)CS2
InChIInChI=1S/C16H30S/c1-11(2)15-7-6-12(3)8-16(15)9-13(4)14(5)10-17-16/h11-15H,6-10H2,1-5H3
InChIKeyOZIDBEYDGCCTFR-UHFFFAOYSA-N
MW254.48 g/mol
LogP5.23
Rot. Bonds1

About 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane

3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane (PubChem CID 20583875) has the molecular formula C16H30S and a molecular weight of 254.48 g/mol. Its IUPAC name is 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
PubChem CID20583875
Molecular FormulaC16H30S
Molecular Weight254.48 g/mol
Exact Mass254.21
IUPAC Name3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
SMILESCC1CCC(C(C)C)C2(C1)CC(C)C(C)CS2
InChIInChI=1S/C16H30S/c1-11(2)15-7-6-12(3)8-16(15)9-13(4)14(5)10-17-16/h11-15H,6-10H2,1-5H3
InChIKeyOZIDBEYDGCCTFR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dithiaspiro[5.5]undecane, 10-methyl-7-(1-methylethyl)-
CID 594637
p-Menth-3-yl methyl sulphide
CID 12326071
Neomenthylsulfide
CID 129699848
(1S,2S,4R)-4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
CID 12326074
(8S,11R)-8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
CID 101998926
Methyl-3-heptyl-2-thiabicyclo[4.4.0]decane
CID 129881652
Pentyl-2-thiabicyclo[4.4.0]decane
CID 129881653
4-Methyl-2-thiaadamantane
CID 6427691
4,8-Dibutyl-2-thiaadamantane
CID 6428489
4,8-Diethyl-2-thiaadamantane
CID 6428491
4,8-Dimethyl-2-thiaadamantane
CID 6428493
4,8-Dipropyl-2-thiaadamantane
CID 6428494

Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The IUPAC name of 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane (CID 20583875) is 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane.
What is the SMILES notation for 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The canonical SMILES for 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane is CC1CCC(C(C)C)C2(C1)CC(C)C(C)CS2.
What is the InChIKey of 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The InChIKey is OZIDBEYDGCCTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30S/c1-11(2)15-7-6-12(3)8-16(15)9-13(4)14(5)10-17-16/h11-15H,6-10H2,1-5H3.
What are the key properties of 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane has a molecular weight of 254.48 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane is sourced from PubChem (CID 20583875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).