4-(3-methylhexyl)-1,3-dioxolane

C10H20O2 — CID 89242664

IUPAC4-(3-methylhexyl)-1,3-dioxolane
SMILESCCCC(C)CCC1COCO1
InChIInChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyJIYSTLCFALDPTM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds5

About 4-(3-methylhexyl)-1,3-dioxolane

4-(3-methylhexyl)-1,3-dioxolane (PubChem CID 89242664) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(3-methylhexyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(3-methylhexyl)-1,3-dioxolane
PubChem CID89242664
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(3-methylhexyl)-1,3-dioxolane
SMILESCCCC(C)CCC1COCO1
InChIInChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyJIYSTLCFALDPTM-UHFFFAOYSA-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

Hydroxycitronellal propyleneglycol acetal
CID 2839751
2-(2-Methylhexyl)-1,3-dioxolane
CID 11970893
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
4-Hexyl-2-methoxy-1,3-dioxolane
CID 70483139
4-Isopropyl-2-pentadecyl-1,3-dioxolane
CID 575374
4-Hexyl-1,3-dioxolane
CID 13264699
4-Decyl-2-ethoxy-1,3-dioxolane
CID 13464241
4-Octyl-1,3-dioxolane
CID 15569281
18-Methyl-nonadecane-1,2-diol, isopropylidene derivative
CID 91743164
2-(1-Butylheptyl)-1,3-dioxolane
CID 11971166
(4R)-4-[3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 163418644
(4R)-4-[(2S,3S)-3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 166780857

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexyl)-1,3-dioxolane?
The IUPAC name of 4-(3-methylhexyl)-1,3-dioxolane (CID 89242664) is 4-(3-methylhexyl)-1,3-dioxolane.
What is the SMILES notation for 4-(3-methylhexyl)-1,3-dioxolane?
The canonical SMILES for 4-(3-methylhexyl)-1,3-dioxolane is CCCC(C)CCC1COCO1.
What is the InChIKey of 4-(3-methylhexyl)-1,3-dioxolane?
The InChIKey is JIYSTLCFALDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylhexyl)-1,3-dioxolane?
4-(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 4-(3-methylhexyl)-1,3-dioxolane is sourced from PubChem (CID 89242664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).