(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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Related Compounds

2-[(E,2R,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]-1,3-dithiane
CID 10967726
5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-2H-thiophene
CID 123140848
2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
CID 123185657
7-(1-Butylsulfanylethoxy)-5,6-dimethylhept-3-ene
CID 145634551
1-(1-Butylsulfanylethoxy)-4-methylcyclopentene
CID 145634568
(2S,4R)-2-methoxy-4-[(Z)-prop-1-enyl]thiane
CID 153213014
(3S)-2-methyl-4-propan-2-yl-9-oxa-1-thiaspiro[2.6]non-5-ene
CID 155247251
(5E)-2,9,10-trimethyl-7,8,9,10-tetrahydro-4H-1,3-oxathiecine
CID 170357391
(6E)-2,9,10-tri(propan-2-yl)-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
CID 170357432
(6E)-8-methyl-2,9,10-tri(propan-2-yl)-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
CID 170357468
(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
CID 170357515
(6E)-10-butan-2-yl-9-methyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
CID 170357582

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).