(4S)-2,4-dimethyl-3-propoxyoxolane

C9H18O2 — CID 89258066

IUPAC(4S)-2,4-dimethyl-3-propoxyoxolane
SMILESCCCOC1C(C)OC[C@@H]1C
InChIInChI=1S/C9H18O2/c1-4-5-10-9-7(2)6-11-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyFDNJBQLPQPHLGP-UEJVZZJDSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About (4S)-2,4-dimethyl-3-propoxyoxolane

(4S)-2,4-dimethyl-3-propoxyoxolane (PubChem CID 89258066) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-3-propoxyoxolane.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-3-propoxyoxolane
PubChem CID89258066
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S)-2,4-dimethyl-3-propoxyoxolane
SMILESCCCOC1C(C)OC[C@@H]1C
InChIInChI=1S/C9H18O2/c1-4-5-10-9-7(2)6-11-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyFDNJBQLPQPHLGP-UEJVZZJDSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-3-propoxyoxolane?
The IUPAC name of (4S)-2,4-dimethyl-3-propoxyoxolane (CID 89258066) is (4S)-2,4-dimethyl-3-propoxyoxolane.
What is the SMILES notation for (4S)-2,4-dimethyl-3-propoxyoxolane?
The canonical SMILES for (4S)-2,4-dimethyl-3-propoxyoxolane is CCCOC1C(C)OC[C@@H]1C.
What is the InChIKey of (4S)-2,4-dimethyl-3-propoxyoxolane?
The InChIKey is FDNJBQLPQPHLGP-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-10-9-7(2)6-11-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-3-propoxyoxolane?
(4S)-2,4-dimethyl-3-propoxyoxolane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-3-propoxyoxolane is sourced from PubChem (CID 89258066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).