(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene

C17H32O2 — CID 23092808

IUPAC(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESC/C1=C/CCC(OC(C)(C)C)C(OC(C)(C)C)CC1
InChIInChI=1S/C17H32O2/c1-13-9-8-10-14(18-16(2,3)4)15(12-11-13)19-17(5,6)7/h9,14-15H,8,10-12H2,1-7H3/b13-9-
InChIKeyYBPKSVJKJXZJEP-LCYFTJDESA-N
MW268.44 g/mol
LogP4.87
Rot. Bonds2

About (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene

(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene (PubChem CID 23092808) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene.

Molecular Properties

Compound Name(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
PubChem CID23092808
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESC/C1=C/CCC(OC(C)(C)C)C(OC(C)(C)C)CC1
InChIInChI=1S/C17H32O2/c1-13-9-8-10-14(18-16(2,3)4)15(12-11-13)19-17(5,6)7/h9,14-15H,8,10-12H2,1-7H3/b13-9-
InChIKeyYBPKSVJKJXZJEP-LCYFTJDESA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.87
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

[(4Z)-8-acetyloxy-5-methylcyclooct-4-en-1-yl] acetate
CID 23092778
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
CID 68741216
1-methyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 59720725
2-[(2E,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
CID 128964459
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 171055813

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene?
The IUPAC name of (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene (CID 23092808) is (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene.
What is the SMILES notation for (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene?
The canonical SMILES for (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene is C/C1=C/CCC(OC(C)(C)C)C(OC(C)(C)C)CC1.
What is the InChIKey of (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene?
The InChIKey is YBPKSVJKJXZJEP-LCYFTJDESA-N. The full InChI is InChI=1S/C17H32O2/c1-13-9-8-10-14(18-16(2,3)4)15(12-11-13)19-17(5,6)7/h9,14-15H,8,10-12H2,1-7H3/b13-9-.
What are the key properties of (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene?
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene has a molecular weight of 268.44 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene is sourced from PubChem (CID 23092808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).