2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane

C19H32O2 — CID 102509937

IUPAC2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32O2/c1-15(12-14-21-18-7-5-6-13-20-18)16-8-10-17(11-9-16)19(2,3)4/h8,12,17-18H,5-7,9-11,13-14H2,1-4H3/b15-12+
InChIKeyVJFJBZKANRCYNJ-NTCAYCPXSA-N
MW292.46 g/mol
LogP5.25
Rot. Bonds4

About 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane

2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane (PubChem CID 102509937) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
PubChem CID102509937
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32O2/c1-15(12-14-21-18-7-5-6-13-20-18)16-8-10-17(11-9-16)19(2,3)4/h8,12,17-18H,5-7,9-11,13-14H2,1-4H3/b15-12+
InChIKeyVJFJBZKANRCYNJ-NTCAYCPXSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(E)-3-(4-tert-butylcyclohexen-1-yl)-1-phenylbut-2-en-1-one
CID 122202804
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
(E)-2-bromo-4-(oxan-2-yloxy)but-2-enoic acid
CID 87487170
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane?
The IUPAC name of 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane (CID 102509937) is 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane is C/C(=C\COC1CCCCO1)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane?
The InChIKey is VJFJBZKANRCYNJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H32O2/c1-15(12-14-21-18-7-5-6-13-20-18)16-8-10-17(11-9-16)19(2,3)4/h8,12,17-18H,5-7,9-11,13-14H2,1-4H3/b15-12+.
What are the key properties of 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane?
2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane has a molecular weight of 292.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane is sourced from PubChem (CID 102509937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).