(3R)-3-heptyl-5-methyl-2-methylideneoxolane

C13H24O — CID 89000838

IUPAC(3R)-3-heptyl-5-methyl-2-methylideneoxolane
SMILESC=C1OC(C)C[C@H]1CCCCCCC
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-13-10-11(2)14-12(13)3/h11,13H,3-10H2,1-2H3/t11?,13-/m1/s1
InChIKeyJXESPENXMUJPHC-GLGOKHISSA-N
MW196.33 g/mol
LogP4.29
Rot. Bonds6

About (3R)-3-heptyl-5-methyl-2-methylideneoxolane

(3R)-3-heptyl-5-methyl-2-methylideneoxolane (PubChem CID 89000838) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (3R)-3-heptyl-5-methyl-2-methylideneoxolane.

Molecular Properties

Compound Name(3R)-3-heptyl-5-methyl-2-methylideneoxolane
PubChem CID89000838
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(3R)-3-heptyl-5-methyl-2-methylideneoxolane
SMILESC=C1OC(C)C[C@H]1CCCCCCC
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-13-10-11(2)14-12(13)3/h11,13H,3-10H2,1-2H3/t11?,13-/m1/s1
InChIKeyJXESPENXMUJPHC-GLGOKHISSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-3-heptyl-5-methyl-2-methylideneoxolane?
The IUPAC name of (3R)-3-heptyl-5-methyl-2-methylideneoxolane (CID 89000838) is (3R)-3-heptyl-5-methyl-2-methylideneoxolane.
What is the SMILES notation for (3R)-3-heptyl-5-methyl-2-methylideneoxolane?
The canonical SMILES for (3R)-3-heptyl-5-methyl-2-methylideneoxolane is C=C1OC(C)C[C@H]1CCCCCCC.
What is the InChIKey of (3R)-3-heptyl-5-methyl-2-methylideneoxolane?
The InChIKey is JXESPENXMUJPHC-GLGOKHISSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-8-9-13-10-11(2)14-12(13)3/h11,13H,3-10H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (3R)-3-heptyl-5-methyl-2-methylideneoxolane?
(3R)-3-heptyl-5-methyl-2-methylideneoxolane has a molecular weight of 196.33 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-heptyl-5-methyl-2-methylideneoxolane is sourced from PubChem (CID 89000838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).