bis(3-methylhexyl) carbonate

C15H30O3 — CID 19017004

IUPACbis(3-methylhexyl) carbonate
SMILESCCCC(C)CCOC(=O)OCCC(C)CCC
InChIInChI=1S/C15H30O3/c1-5-7-13(3)9-11-17-15(16)18-12-10-14(4)8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyMXLBSRJYZDDXIB-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.79
Rot. Bonds10

About bis(3-methylhexyl) carbonate

bis(3-methylhexyl) carbonate (PubChem CID 19017004) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is bis(3-methylhexyl) carbonate.

Molecular Properties

Compound Namebis(3-methylhexyl) carbonate
PubChem CID19017004
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namebis(3-methylhexyl) carbonate
SMILESCCCC(C)CCOC(=O)OCCC(C)CCC
InChIInChI=1S/C15H30O3/c1-5-7-13(3)9-11-17-15(16)18-12-10-14(4)8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyMXLBSRJYZDDXIB-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpentyl pentyl carbonate
CID 129191725
1-O-decyl 3-O-nonyl 2-(4,8-dimethyl-10-octoxycarbonyloxydecyl)propanedioate
CID 141102946
2-aminoacetic acid;4-methylheptane
CID 143106228
3-methylheptyl carbonochloridate
CID 20702686
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
butyl 3-methoxybutyl carbonate
CID 87247600
chloro 3-methylbutyl carbonate
CID 22341746
6-hydroxyhexyl (5-hydroxy-3-methylpentyl) carbonate;4-methoxybutan-1-ol
CID 160539409
4-methylheptane;propane
CID 142171269
(2,5-dihydroxypyrrol-1-yl) 4-methylheptyl carbonate
CID 91213174
3-butoxybutyl ethyl carbonate
CID 87247604

Frequently Asked Questions

What is the IUPAC name of bis(3-methylhexyl) carbonate?
The IUPAC name of bis(3-methylhexyl) carbonate (CID 19017004) is bis(3-methylhexyl) carbonate.
What is the SMILES notation for bis(3-methylhexyl) carbonate?
The canonical SMILES for bis(3-methylhexyl) carbonate is CCCC(C)CCOC(=O)OCCC(C)CCC.
What is the InChIKey of bis(3-methylhexyl) carbonate?
The InChIKey is MXLBSRJYZDDXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-7-13(3)9-11-17-15(16)18-12-10-14(4)8-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of bis(3-methylhexyl) carbonate?
bis(3-methylhexyl) carbonate has a molecular weight of 258.40 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylhexyl) carbonate is sourced from PubChem (CID 19017004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).