(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane

C17H32S — CID 126549568

IUPAC(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane
SMILESC=C(CCCCC(C)(C)C)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C17H32S/c1-14(11-9-10-12-16(2,3)4)15(13-18-8)17(5,6)7/h13H,1,9-12H2,2-8H3/b15-13+
InChIKeyVSSBTIVJXATYKH-FYWRMAATSA-N
MW268.51 g/mol
LogP6.44
Rot. Bonds6

About (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane

(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane (PubChem CID 126549568) has the molecular formula C17H32S and a molecular weight of 268.51 g/mol. Its IUPAC name is (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane.

Molecular Properties

Compound Name(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane
PubChem CID126549568
Molecular FormulaC17H32S
Molecular Weight268.51 g/mol
Exact Mass268.22
IUPAC Name(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane
SMILESC=C(CCCCC(C)(C)C)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C17H32S/c1-14(11-9-10-12-16(2,3)4)15(13-18-8)17(5,6)7/h13H,1,9-12H2,2-8H3/b15-13+
InChIKeyVSSBTIVJXATYKH-FYWRMAATSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethylheptan-2-yl)-3,3,7-trimethyloct-1-ene-1-thiol
CID 134933104
2,4,5,5-Tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane
CID 59440411
2-Ethyl-2-methyl-6-methylidenenonane-1-thiol
CID 89062066
11,11-Dimethyl-3-methylidenecyclotridecane-1-thiol
CID 123763613
2,2-Dimethyl-5-methylideneoctane-3-thiol
CID 126513944
(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane
CID 129167681
2-(2,2-Dimethylpropylsulfanyl)-2,7,7-trimethyl-4-methylideneoctane
CID 129256920
6-Ethyl-3-methylidene-6-propylnonane-1-thiol
CID 132026463
8,8-Dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane
CID 134443444
(4E)-1,1-bis(4-ethyloctyl)-4-(methylsulfanylmethylidene)cycloheptane
CID 137419761
7-Ethyl-4,10-dimethylidene-7-(3-methylidene-5-sulfanylhexyl)tridecane-2,12-dithiol
CID 137505116
4,4,7,7-Tetramethyl-5-methylideneoctane-2-thiol
CID 138690112

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane?
The IUPAC name of (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane (CID 126549568) is (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane.
What is the SMILES notation for (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane?
The canonical SMILES for (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane is C=C(CCCCC(C)(C)C)/C(=C\SC)C(C)(C)C.
What is the InChIKey of (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane?
The InChIKey is VSSBTIVJXATYKH-FYWRMAATSA-N. The full InChI is InChI=1S/C17H32S/c1-14(11-9-10-12-16(2,3)4)15(13-18-8)17(5,6)7/h13H,1,9-12H2,2-8H3/b15-13+.
What are the key properties of (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane?
(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane has a molecular weight of 268.51 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane is sourced from PubChem (CID 126549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).