ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium

C19H31OSV- — CID 176920152

IUPACethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium
SMILESCC.CC.CCC1=C(SC)c2c[c-]c(C(C)C)cc2OC1.[V]
InChIInChI=1S/C15H19OS.2C2H6.V/c1-5-11-9-16-14-8-12(10(2)3)6-7-13(14)15(11)17-4;2*1-2;/h7-8,10H,5,9H2,1-4H3;2*1-2H3;/q-1;;;
InChIKeySWXHZNGLKOZOKJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP6.54
Rot. Bonds3

About ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium

ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium (PubChem CID 176920152) has the molecular formula C19H31OSV- and a molecular weight of 358.47 g/mol. Its IUPAC name is ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium.

Molecular Properties

Compound Nameethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium
PubChem CID176920152
Molecular FormulaC19H31OSV-
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Nameethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium
SMILESCC.CC.CCC1=C(SC)c2c[c-]c(C(C)C)cc2OC1.[V]
InChIInChI=1S/C15H19OS.2C2H6.V/c1-5-11-9-16-14-8-12(10(2)3)6-7-13(14)15(11)17-4;2*1-2;/h7-8,10H,5,9H2,1-4H3;2*1-2H3;/q-1;;;
InChIKeySWXHZNGLKOZOKJ-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Butoxy-3,5-dimethylcyclohexa-1,3-dien-1-yl)-trimethyl-lambda4-sulfane
CID 123600663
(4-Methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-lambda4-sulfane
CID 123876430
1-(4-Butoxy-8,8a-dihydronaphthalen-1-yl)thiolan-1-ium
CID 140711568
(4-Butoxy-6,7-dihydronaphthalen-1-yl)-diethylsulfanium
CID 144113289
4,8-dimethyl-5-methylsulfanyl-3,7-dihydro-2H-1-benzoxepin-7-ide;ethane;vanadium
CID 176919971

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium?
The IUPAC name of ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium (CID 176920152) is ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium.
What is the SMILES notation for ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium?
The canonical SMILES for ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium is CC.CC.CCC1=C(SC)c2c[c-]c(C(C)C)cc2OC1.[V].
What is the InChIKey of ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium?
The InChIKey is SWXHZNGLKOZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19OS.2C2H6.V/c1-5-11-9-16-14-8-12(10(2)3)6-7-13(14)15(11)17-4;2*1-2;/h7-8,10H,5,9H2,1-4H3;2*1-2H3;/q-1;;;.
What are the key properties of ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium?
ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium has a molecular weight of 358.47 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium is sourced from PubChem (CID 176920152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).