2,2-dimethylhexyl cyclohexene-1-carboxylate

C15H26O2 — CID 150127504

IUPAC2,2-dimethylhexyl cyclohexene-1-carboxylate
SMILESCCCCC(C)(C)COC(=O)C1=CCCCC1
InChIInChI=1S/C15H26O2/c1-4-5-11-15(2,3)12-17-14(16)13-9-7-6-8-10-13/h9H,4-8,10-12H2,1-3H3
InChIKeyFANOKBLKYHEYKR-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds6

About 2,2-dimethylhexyl cyclohexene-1-carboxylate

2,2-dimethylhexyl cyclohexene-1-carboxylate (PubChem CID 150127504) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethylhexyl cyclohexene-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylhexyl cyclohexene-1-carboxylate
PubChem CID150127504
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2,2-dimethylhexyl cyclohexene-1-carboxylate
SMILESCCCCC(C)(C)COC(=O)C1=CCCCC1
InChIInChI=1S/C15H26O2/c1-4-5-11-15(2,3)12-17-14(16)13-9-7-6-8-10-13/h9H,4-8,10-12H2,1-3H3
InChIKeyFANOKBLKYHEYKR-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl cycloundecene-1-carboxylate
CID 154164177
pentyl cyclopentene-1-carboxylate
CID 86197593
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
methyl cyclododecene-1-carboxylate
CID 54564642
bis(2,2-dimethylheptyl) benzene-1,3-dicarboxylate
CID 139885270
2-azidoethyl cyclohexene-1-carboxylate
CID 90220717
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
ethyl (Z)-4-chloro-3-(cyclohexen-1-yl)-2-oxobut-3-enoate
CID 24854476
stibanyl cyclohexene-1-carboxylate
CID 174261272
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexyl cyclohexene-1-carboxylate?
The IUPAC name of 2,2-dimethylhexyl cyclohexene-1-carboxylate (CID 150127504) is 2,2-dimethylhexyl cyclohexene-1-carboxylate.
What is the SMILES notation for 2,2-dimethylhexyl cyclohexene-1-carboxylate?
The canonical SMILES for 2,2-dimethylhexyl cyclohexene-1-carboxylate is CCCCC(C)(C)COC(=O)C1=CCCCC1.
What is the InChIKey of 2,2-dimethylhexyl cyclohexene-1-carboxylate?
The InChIKey is FANOKBLKYHEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-11-15(2,3)12-17-14(16)13-9-7-6-8-10-13/h9H,4-8,10-12H2,1-3H3.
What are the key properties of 2,2-dimethylhexyl cyclohexene-1-carboxylate?
2,2-dimethylhexyl cyclohexene-1-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexyl cyclohexene-1-carboxylate is sourced from PubChem (CID 150127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).