3-ethyl-5-methyl-2-methylsulfanylhex-1-ene

C10H20S — CID 91437549

IUPAC3-ethyl-5-methyl-2-methylsulfanylhex-1-ene
SMILESC=C(SC)C(CC)CC(C)C
InChIInChI=1S/C10H20S/c1-6-10(7-8(2)3)9(4)11-5/h8,10H,4,6-7H2,1-3,5H3
InChIKeyDCFRYXAPSBVREB-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.94
Rot. Bonds5

About 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene

3-ethyl-5-methyl-2-methylsulfanylhex-1-ene (PubChem CID 91437549) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-methylsulfanylhex-1-ene
PubChem CID91437549
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name3-ethyl-5-methyl-2-methylsulfanylhex-1-ene
SMILESC=C(SC)C(CC)CC(C)C
InChIInChI=1S/C10H20S/c1-6-10(7-8(2)3)9(4)11-5/h8,10H,4,6-7H2,1-3,5H3
InChIKeyDCFRYXAPSBVREB-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
5-ethyl-7-methyloctan-4-one
CID 139477338
N,N,2-triethyl-4-methylpentanamide
CID 170847895
(3-ethyl-5-methylhexan-2-ylidene)cyclobutane
CID 123584508
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
propane;2,4,6-trimethylheptane
CID 165013878
2,4,6,8-tetramethyldecane
CID 54224604
3-ethylpent-1-en-2-ylsilane
CID 173047562
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene?
The IUPAC name of 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene (CID 91437549) is 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene.
What is the SMILES notation for 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene?
The canonical SMILES for 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene is C=C(SC)C(CC)CC(C)C.
What is the InChIKey of 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene?
The InChIKey is DCFRYXAPSBVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-6-10(7-8(2)3)9(4)11-5/h8,10H,4,6-7H2,1-3,5H3.
What are the key properties of 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene?
3-ethyl-5-methyl-2-methylsulfanylhex-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-methylsulfanylhex-1-ene is sourced from PubChem (CID 91437549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).