2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane

C12H21ClO2 — CID 102410963

IUPAC2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
SMILESC/C(=C/CCl)CCCOC1CCCCO1
InChIInChI=1S/C12H21ClO2/c1-11(7-8-13)5-4-10-15-12-6-2-3-9-14-12/h7,12H,2-6,8-10H2,1H3/b11-7-
InChIKeyGYMYXXFUPOZZNU-XFFZJAGNSA-N
MW232.75 g/mol
LogP3.49
Rot. Bonds6

About 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane

2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane (PubChem CID 102410963) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
PubChem CID102410963
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
SMILESC/C(=C/CCl)CCCOC1CCCCO1
InChIInChI=1S/C12H21ClO2/c1-11(7-8-13)5-4-10-15-12-6-2-3-9-14-12/h7,12H,2-6,8-10H2,1H3/b11-7-
InChIKeyGYMYXXFUPOZZNU-XFFZJAGNSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-chlorododecoxy)oxane
CID 14014573
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CID 129363277
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
ethyl (E)-2-diethoxyphosphoryl-6-methyl-9-(oxan-2-yloxy)non-5-enoate
CID 11281946
trimethyl-[(E)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane
CID 6370276
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
2-octacosoxyoxane
CID 11214102
2-(2-chloroethoxy)oxepane
CID 24977653
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane?
The IUPAC name of 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane (CID 102410963) is 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane?
The canonical SMILES for 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane is C/C(=C/CCl)CCCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane?
The InChIKey is GYMYXXFUPOZZNU-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-11(7-8-13)5-4-10-15-12-6-2-3-9-14-12/h7,12H,2-6,8-10H2,1H3/b11-7-.
What are the key properties of 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane?
2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane has a molecular weight of 232.75 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane is sourced from PubChem (CID 102410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).