2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole

C14H26O2 — CID 141403793

IUPAC2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole
SMILESCC1=C(C)OC(C[C@H](C)CCCC(C)C)O1
InChIInChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyYSKSMSQVYDNCHT-LLVKDONJSA-N
MW226.36 g/mol
LogP4.46
Rot. Bonds6

About 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole

2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole (PubChem CID 141403793) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole
PubChem CID141403793
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole
SMILESCC1=C(C)OC(C[C@H](C)CCCC(C)C)O1
InChIInChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyYSKSMSQVYDNCHT-LLVKDONJSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole?
The IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole (CID 141403793) is 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole.
What is the SMILES notation for 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole?
The canonical SMILES for 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole is CC1=C(C)OC(C[C@H](C)CCCC(C)C)O1.
What is the InChIKey of 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole?
The InChIKey is YSKSMSQVYDNCHT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole?
2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole has a molecular weight of 226.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole is sourced from PubChem (CID 141403793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).