2-[(3R)-3-methylhexyl]-1,3-dioxolane

C10H20O2 — CID 24822227

IUPAC2-[(3R)-3-methylhexyl]-1,3-dioxolane
SMILESCCC[C@@H](C)CCC1OCCO1
InChIInChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-11-7-8-12-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyPXVYLUDBAKCLES-SECBINFHSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds5

About 2-[(3R)-3-methylhexyl]-1,3-dioxolane

2-[(3R)-3-methylhexyl]-1,3-dioxolane (PubChem CID 24822227) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(3R)-3-methylhexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3R)-3-methylhexyl]-1,3-dioxolane
PubChem CID24822227
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[(3R)-3-methylhexyl]-1,3-dioxolane
SMILESCCC[C@@H](C)CCC1OCCO1
InChIInChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-11-7-8-12-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyPXVYLUDBAKCLES-SECBINFHSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822226
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
CID 103546603
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
2-(2-methylpentyl)-1,3-dioxan-4-ol
CID 89310724
1-methyl-3-(3-methylhexyl)cyclobutane
CID 90803912
acetylene;4-methylheptane
CID 143164229
1-(1,3-dioxolan-2-yl)heptan-4-yl formate
CID 174945908
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 101148003

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The IUPAC name of 2-[(3R)-3-methylhexyl]-1,3-dioxolane (CID 24822227) is 2-[(3R)-3-methylhexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3R)-3-methylhexyl]-1,3-dioxolane is CCC[C@@H](C)CCC1OCCO1.
What is the InChIKey of 2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The InChIKey is PXVYLUDBAKCLES-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-11-7-8-12-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-methylhexyl]-1,3-dioxolane?
2-[(3R)-3-methylhexyl]-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylhexyl]-1,3-dioxolane is sourced from PubChem (CID 24822227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).