tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane

C19H35NO3 — CID 145294027

IUPACtert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane
SMILESC=CC1=C(C=C)C(NC(=O)OC(C)(C)C)CCC1O.CC.CC
InChIInChI=1S/C15H23NO3.2C2H6/c1-6-10-11(7-2)13(17)9-8-12(10)16-14(18)19-15(3,4)5;2*1-2/h6-7,12-13,17H,1-2,8-9H2,3-5H3,(H,16,18);2*1-2H3
InChIKeyZDBQEXPLNKIVJD-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane

tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane (PubChem CID 145294027) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane
PubChem CID145294027
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane
SMILESC=CC1=C(C=C)C(NC(=O)OC(C)(C)C)CCC1O.CC.CC
InChIInChI=1S/C15H23NO3.2C2H6/c1-6-10-11(7-2)13(17)9-8-12(10)16-14(18)19-15(3,4)5;2*1-2/h6-7,12-13,17H,1-2,8-9H2,3-5H3,(H,16,18);2*1-2H3
InChIKeyZDBQEXPLNKIVJD-UHFFFAOYSA-N
XLogP4.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-tert-butyl N-[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 21582704
tert-butyl N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 11413221
2-Methyl-2-propanyl (4-hydroxy-2-cyclohexen-1-yl)carbamate
CID 13294372
(4R,5S)-5-butyl-4-[(1E,3E,5Z,7E,9R)-9-hydroxytetradeca-1,3,5,7-tetraenyl]-1,3-oxazolidin-2-one
CID 59263592
tert-butyl N-(3-ethyl-4,5,6-trihydroxycyclohex-2-en-1-yl)carbamate
CID 60041023
tert-butyl N-[(5S)-4,5,6-trihydroxy-3-(1-tritioethyl)cyclohex-2-en-1-yl]carbamate
CID 60041201
trans-1-Hydroxy-4-(tert-butoxycarbonylamino)-2-cyclohexene
CID 69157188
tert-butyl N-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 69157189
tert-butyl N-[(4S)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 71174542
tert-butyl N-(1-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)carbamate
CID 123328273
tert-butyl N-[(4Z,6Z)-4-[(3S)-3-hydroxybut-1-en-2-yl]octa-4,6-dienyl]carbamate
CID 137382477
tert-butyl 4-[(2Z,4E)-4-(1-hydroxypropyl)hepta-2,4,6-trien-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 142992974

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane (CID 145294027) is tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane is C=CC1=C(C=C)C(NC(=O)OC(C)(C)C)CCC1O.CC.CC.
What is the InChIKey of tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane?
The InChIKey is ZDBQEXPLNKIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.2C2H6/c1-6-10-11(7-2)13(17)9-8-12(10)16-14(18)19-15(3,4)5;2*1-2/h6-7,12-13,17H,1-2,8-9H2,3-5H3,(H,16,18);2*1-2H3.
What are the key properties of tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane?
tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane has a molecular weight of 325.49 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-bis(ethenyl)-4-hydroxycyclohex-2-en-1-yl]carbamate;ethane is sourced from PubChem (CID 145294027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).