(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene

C10H18S — CID 126513851

IUPAC(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
SMILESC=C(C)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-8(2)9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b9-7+
InChIKeyLXSAAZGHDYINMP-VQHVLOKHSA-N
MW170.32 g/mol
LogP3.86
Rot. Bonds2

About (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene

(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene (PubChem CID 126513851) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene.

Molecular Properties

Compound Name(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
PubChem CID126513851
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
SMILESC=C(C)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-8(2)9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b9-7+
InChIKeyLXSAAZGHDYINMP-VQHVLOKHSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 166999034
(3E)-5-chloro-2,2-dimethyl-3-prop-1-en-2-ylhexa-3,5-dien-1-ol;ethane
CID 144677825
(3Z)-2,6,6-trimethyl-5-methylidene-4-methylsulfanylhepta-1,3-diene
CID 166738781
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363668
1,1,2-tris(methylsulfanyl)ethene
CID 597145
(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 138649011
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
CID 157253395

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene?
The IUPAC name of (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene (CID 126513851) is (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene.
What is the SMILES notation for (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene?
The canonical SMILES for (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene is C=C(C)/C(=C\SC)C(C)(C)C.
What is the InChIKey of (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene?
The InChIKey is LXSAAZGHDYINMP-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b9-7+.
What are the key properties of (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene?
(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene has a molecular weight of 170.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene is sourced from PubChem (CID 126513851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).