[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate

C19H30O6 — CID 163949609

IUPAC[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate
SMILESCOC(=O)OCC1(C)CCC2C(C1)C1CC2C(C)(COC(=O)OC)C1
InChIInChI=1S/C19H30O6/c1-18(10-24-16(20)22-3)6-5-13-14(9-18)12-7-15(13)19(2,8-12)11-25-17(21)23-4/h12-15H,5-11H2,1-4H3
InChIKeyRYEAFEOCCKDSRK-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.02
Rot. Bonds4

About [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate

[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate (PubChem CID 163949609) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate.

Molecular Properties

Compound Name[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate
PubChem CID163949609
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Name[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate
SMILESCOC(=O)OCC1(C)CCC2C(C1)C1CC2C(C)(COC(=O)OC)C1
InChIInChI=1S/C19H30O6/c1-18(10-24-16(20)22-3)6-5-13-14(9-18)12-7-15(13)19(2,8-12)11-25-17(21)23-4/h12-15H,5-11H2,1-4H3
InChIKeyRYEAFEOCCKDSRK-UHFFFAOYSA-N
XLogP4.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate with MolForge

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Related Compounds

2-[[4,10-dimethyl-10-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxymethyl]-4-tricyclo[6.3.1.02,7]dodecanyl]methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 123650160
5-[[10-(carbamoyloxymethyl)-4,10-dimethyl-4-tricyclo[6.3.1.02,7]dodecanyl]methoxycarbonylamino]pentyl prop-2-enoate
CID 138735675
[10-(aminomethyl)-4,10-dimethyl-4-tricyclo[6.3.1.02,7]dodecanyl]methanamine
CID 166919292
methyl 2-[(3aS,5aR,7S,9aR,9bS)-3a,7-dimethyl-3-oxo-1,2,4,5,5a,6,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetate
CID 10565599
tetracyclo[5.2.1.01,5.04,8]decane
CID 123672107
1-[(2S,3aS,3bR,5aS,6S,8aS,8bR,10aR)-2-hydroxy-2-(methoxymethyl)-5a-methyl-1,3,3a,3b,4,5,6,7,8,8a,8b,9,10,10a-tetradecahydroindeno[5,4-e]inden-6-yl]ethanone
CID 165371728
methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
CID 67558569
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757986
cyclopropylmethyl methyl carbonate
CID 54535586
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
bis[(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
CID 54210343
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) (2S)-2-tert-butyl-4,4-dimethylpentanoate
CID 70997730

Frequently Asked Questions

What is the IUPAC name of [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate?
The IUPAC name of [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate (CID 163949609) is [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate.
What is the SMILES notation for [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate?
The canonical SMILES for [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate is COC(=O)OCC1(C)CCC2C(C1)C1CC2C(C)(COC(=O)OC)C1.
What is the InChIKey of [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate?
The InChIKey is RYEAFEOCCKDSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O6/c1-18(10-24-16(20)22-3)6-5-13-14(9-18)12-7-15(13)19(2,8-12)11-25-17(21)23-4/h12-15H,5-11H2,1-4H3.
What are the key properties of [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate?
[4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate has a molecular weight of 354.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxycarbonyloxymethyl)-4,9-dimethyl-9-tricyclo[6.2.1.02,7]undecanyl]methyl methyl carbonate is sourced from PubChem (CID 163949609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).