(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene

C14H26OS — CID 170357846

IUPAC(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene
SMILESCC(C)C1OC(C)C(C)C/C=C\CCCS1
InChIInChI=1S/C14H26OS/c1-11(2)14-15-13(4)12(3)9-7-5-6-8-10-16-14/h5,7,11-14H,6,8-10H2,1-4H3/b7-5-
InChIKeyWJUJMZAJEUDJTF-ALCCZGGFSA-N
MW242.43 g/mol
LogP4.48
Rot. Bonds1

About (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene

(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene (PubChem CID 170357846) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene.

Molecular Properties

Compound Name(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene
PubChem CID170357846
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene
SMILESCC(C)C1OC(C)C(C)C/C=C\CCCS1
InChIInChI=1S/C14H26OS/c1-11(2)14-15-13(4)12(3)9-7-5-6-8-10-16-14/h5,7,11-14H,6,8-10H2,1-4H3/b7-5-
InChIKeyWJUJMZAJEUDJTF-ALCCZGGFSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene?
The IUPAC name of (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene (CID 170357846) is (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene.
What is the SMILES notation for (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene?
The canonical SMILES for (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene is CC(C)C1OC(C)C(C)C/C=C\CCCS1.
What is the InChIKey of (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene?
The InChIKey is WJUJMZAJEUDJTF-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H26OS/c1-11(2)14-15-13(4)12(3)9-7-5-6-8-10-16-14/h5,7,11-14H,6,8-10H2,1-4H3/b7-5-.
What are the key properties of (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene?
(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene has a molecular weight of 242.43 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene is sourced from PubChem (CID 170357846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).