1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene

C17H28O2 — CID 24865695

IUPAC1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene
SMILESC=CC1=C(C(C)(C)C)CC(COC)(COC)CC1=C
InChIInChI=1S/C17H28O2/c1-8-14-13(2)9-17(11-18-6,12-19-7)10-15(14)16(3,4)5/h8H,1-2,9-12H2,3-7H3
InChIKeyJKCPJAGIVWPPBG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.14
Rot. Bonds5

About 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene

1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene (PubChem CID 24865695) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene.

Molecular Properties

Compound Name1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene
PubChem CID24865695
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene
SMILESC=CC1=C(C(C)(C)C)CC(COC)(COC)CC1=C
InChIInChI=1S/C17H28O2/c1-8-14-13(2)9-17(11-18-6,12-19-7)10-15(14)16(3,4)5/h8H,1-2,9-12H2,3-7H3
InChIKeyJKCPJAGIVWPPBG-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethenylidene-5,5-bis(methoxymethyl)-1-methyl-2-propan-2-ylcyclohexene
CID 101726768
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
CID 11066209
5,5-Bis(methoxymethyl)-1,7-dimethyl-2,4,5,6-tetrahydro-1H-indene
CID 71367517
5,5-Bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene
CID 102149760
3-Ethenyl-5,5-bis(methoxymethyl)-1-methylcyclohexene
CID 135008981
[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane
CID 135011636
5-Ethenyl-3,3-bis(methoxymethyl)-1-methylcyclohexene
CID 135060488
(3S,4S)-2-ethenyl-4-methoxy-3-(methoxymethyl)-1,3-dimethylcyclohexene
CID 11789061
4,4-Bis(methoxymethyl)-6-methylidene-1-prop-1-en-2-ylcyclohexene
CID 12104346
(1S)-5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 12104347
5,5-Bis(methoxymethyl)-1-methyl-2-propan-2-yl-3-prop-1-enylidenecyclohexene
CID 101726765
(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
CID 102356670

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene?
The IUPAC name of 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene (CID 24865695) is 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene.
What is the SMILES notation for 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene?
The canonical SMILES for 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene is C=CC1=C(C(C)(C)C)CC(COC)(COC)CC1=C.
What is the InChIKey of 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene?
The InChIKey is JKCPJAGIVWPPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-8-14-13(2)9-17(11-18-6,12-19-7)10-15(14)16(3,4)5/h8H,1-2,9-12H2,3-7H3.
What are the key properties of 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene?
1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene has a molecular weight of 264.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene is sourced from PubChem (CID 24865695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).