(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane

C16H24O2 — CID 132542790

IUPAC(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane
SMILESC=C1O[C@@]23CCCC[C@@H]2[C@H](C)[C@@H]2CCCC[C@@]12O3
InChIInChI=1S/C16H24O2/c1-11-13-7-3-5-9-15(13)12(2)17-16(18-15)10-6-4-8-14(11)16/h11,13-14H,2-10H2,1H3/t11-,13+,14-,15-,16-/m1/s1
InChIKeyACTVPJIQVGCKAN-DPZJBDQQSA-N
MW248.37 g/mol
LogP4.01
Rot. Bonds

About (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane

(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane (PubChem CID 132542790) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane.

Molecular Properties

Compound Name(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane
PubChem CID132542790
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane
SMILESC=C1O[C@@]23CCCC[C@@H]2[C@H](C)[C@@H]2CCCC[C@@]12O3
InChIInChI=1S/C16H24O2/c1-11-13-7-3-5-9-15(13)12(2)17-16(18-15)10-6-4-8-14(11)16/h11,13-14H,2-10H2,1H3/t11-,13+,14-,15-,16-/m1/s1
InChIKeyACTVPJIQVGCKAN-DPZJBDQQSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane?
The IUPAC name of (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane (CID 132542790) is (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane.
What is the SMILES notation for (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane?
The canonical SMILES for (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane is C=C1O[C@@]23CCCC[C@@H]2[C@H](C)[C@@H]2CCCC[C@@]12O3.
What is the InChIKey of (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane?
The InChIKey is ACTVPJIQVGCKAN-DPZJBDQQSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-13-7-3-5-9-15(13)12(2)17-16(18-15)10-6-4-8-14(11)16/h11,13-14H,2-10H2,1H3/t11-,13+,14-,15-,16-/m1/s1.
What are the key properties of (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane?
(1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane has a molecular weight of 248.37 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7R,8R,13R)-7-methyl-15-methylidene-14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecane is sourced from PubChem (CID 132542790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).