[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate

C14H24O3 — CID 54111997

IUPAC[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13?/m1/s1
InChIKeyNHTKRGAQECGOKI-OJRHAOMCSA-N
MW240.34 g/mol
LogP3.79
Rot. Bonds4

About [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate

[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate (PubChem CID 54111997) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
PubChem CID54111997
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13?/m1/s1
InChIKeyNHTKRGAQECGOKI-OJRHAOMCSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Menthyl acrylate
CID 544164
l-Menthyl acrylate
CID 11031110
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
CID 11063361
d-Menthyl acrylate
CID 10104558
Menthyl allyl ether
CID 11106286
Menthyl vinyl carbonate
CID 20329928
tributyl-[(E,1R)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethoxy]but-2-enyl]stannane
CID 13294204
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
CID 11085895
(1R,2S,4S)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
CID 11458261
(5-Methyl-2-propan-2-ylcyclohexyl) buta-2,3-dienoate
CID 14491778
(5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate
CID 20329930
Prop-2-enyl (3,3,5-trimethylcyclohexyl) carbonate
CID 20362224

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate?
The IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate (CID 54111997) is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate.
What is the SMILES notation for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate?
The canonical SMILES for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate is C=CCOC(=O)OC1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate?
The InChIKey is NHTKRGAQECGOKI-OJRHAOMCSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13?/m1/s1.
What are the key properties of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate?
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate has a molecular weight of 240.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate is sourced from PubChem (CID 54111997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).