2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane

C10H18OS — CID 10103917

IUPAC2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane
SMILESC/C=C\C1(SC)CCCCCO1
InChIInChI=1S/C10H18OS/c1-3-7-10(12-2)8-5-4-6-9-11-10/h3,7H,4-6,8-9H2,1-2H3/b7-3-
InChIKeyXSZWCPLACPPRTN-CLTKARDFSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds2

About 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane

2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane (PubChem CID 10103917) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane.

Molecular Properties

Compound Name2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane
PubChem CID10103917
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane
SMILESC/C=C\C1(SC)CCCCCO1
InChIInChI=1S/C10H18OS/c1-3-7-10(12-2)8-5-4-6-9-11-10/h3,7H,4-6,8-9H2,1-2H3/b7-3-
InChIKeyXSZWCPLACPPRTN-CLTKARDFSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
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

1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
2-methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
2,2-dimethyloxane;methanamine
CID 144836185
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
CID 11436734
2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469
ethane;2-methyloxane-2-carboxamide
CID 171543445
2-aminosilyl-2-methyloxane
CID 123466383
ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol
CID 143807003
N-(2-silyloxan-2-yl)hydroxylamine
CID 173073267
tris[2-[ethenyl(dimethyl)silyl]oxan-2-yl]-methylsilane
CID 175229484
(2R)-2-methyloxane-2-thiol
CID 177047771

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane?
The IUPAC name of 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane (CID 10103917) is 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane.
What is the SMILES notation for 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane?
The canonical SMILES for 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane is C/C=C\C1(SC)CCCCCO1.
What is the InChIKey of 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane?
The InChIKey is XSZWCPLACPPRTN-CLTKARDFSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-7-10(12-2)8-5-4-6-9-11-10/h3,7H,4-6,8-9H2,1-2H3/b7-3-.
What are the key properties of 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane?
2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane is sourced from PubChem (CID 10103917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).