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

C14H28O2 — CID 11183785

IUPAC(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane
SMILESCC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H28O2/c1-5-12(2)9-7-6-8-10-13-11-15-14(3,4)16-13/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyQWXIYYYLRRSRHH-OLZOCXBDSA-N
MW228.38 g/mol
LogP4.13
Rot. Bonds7

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

(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane (PubChem CID 11183785) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane
PubChem CID11183785
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane
SMILESCC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H28O2/c1-5-12(2)9-7-6-8-10-13-11-15-14(3,4)16-13/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyQWXIYYYLRRSRHH-OLZOCXBDSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.13
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-methyloctyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane (CID 11183785) is (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane is CC[C@@H](C)CCCCC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane?
The InChIKey is QWXIYYYLRRSRHH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-12(2)9-7-6-8-10-13-11-15-14(3,4)16-13/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane has a molecular weight of 228.38 g/mol, XLogP of 4.13, 7 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-methyloctyl]-1,3-dioxolane is sourced from PubChem (CID 11183785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).