(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane

C15H30O2 — CID 11470543

IUPAC(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane
SMILESCCC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-5-9-13(2)10-7-6-8-11-14-12-16-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyCMOGWVWWKIWGBX-KGLIPLIRSA-N
MW242.40 g/mol
LogP4.52
Rot. Bonds8

About (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane (PubChem CID 11470543) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane
PubChem CID11470543
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane
SMILESCCC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-5-9-13(2)10-7-6-8-11-14-12-16-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyCMOGWVWWKIWGBX-KGLIPLIRSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane (CID 11470543) is (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane is CCC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane?
The InChIKey is CMOGWVWWKIWGBX-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-9-13(2)10-7-6-8-11-14-12-16-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane has a molecular weight of 242.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane is sourced from PubChem (CID 11470543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).