(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate

C16H30O3 — CID 91700649

IUPAC(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate
SMILESCCCCCOC(=O)OC1CC(C(C)C)CCC1C
InChIInChI=1S/C16H30O3/c1-5-6-7-10-18-16(17)19-15-11-14(12(2)3)9-8-13(15)4/h12-15H,5-11H2,1-4H3
InChIKeyCMBGMLXSDKGFSF-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.79
Rot. Bonds6

About (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate

(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate (PubChem CID 91700649) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate
PubChem CID91700649
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate
SMILESCCCCCOC(=O)OC1CC(C(C)C)CCC1C
InChIInChI=1S/C16H30O3/c1-5-6-7-10-18-16(17)19-15-11-14(12(2)3)9-8-13(15)4/h12-15H,5-11H2,1-4H3
InChIKeyCMBGMLXSDKGFSF-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-5-propan-2-ylcyclohexyl) nonyl carbonate
CID 91715885
(2-methyl-5-propan-2-ylcyclohexyl) octyl carbonate
CID 91715884
4-methylpentyl (2-methyl-5-propan-2-ylcyclohexyl) carbonate
CID 91700652
[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate
CID 91473780
[(1R,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] 2-formyloxyacetate
CID 91139160
2-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-pentyl oxalate
CID 6421326
(5-methyl-2-propan-2-ylcyclohexyl) 9-nitrosononyl carbonate
CID 129206915
1-O-hexadecyl 4-O-(2-methylcyclohexyl) butanedioate
CID 91710490
pentyl propan-2-yloxy carbonate
CID 142700968
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
heptyl octyl carbonate
CID 21498015

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate?
The IUPAC name of (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate (CID 91700649) is (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate.
What is the SMILES notation for (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate?
The canonical SMILES for (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate is CCCCCOC(=O)OC1CC(C(C)C)CCC1C.
What is the InChIKey of (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate?
The InChIKey is CMBGMLXSDKGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-6-7-10-18-16(17)19-15-11-14(12(2)3)9-8-13(15)4/h12-15H,5-11H2,1-4H3.
What are the key properties of (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate?
(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate has a molecular weight of 270.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate is sourced from PubChem (CID 91700649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).