(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one

C14H18O2 — CID 71492013

IUPAC(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
SMILESCC1=C2C(=O)C[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234
InChIInChI=1S/C14H18O2/c1-8-2-3-9-4-5-12-14(9)10(7-16-12)6-11(15)13(8)14/h9-10,12H,2-7H2,1H3/t9-,10+,12-,14+/m1/s1
InChIKeyGKXZPHVPTJVKOB-JCRCQARHSA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds

About (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one

(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one (PubChem CID 71492013) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one.

Molecular Properties

Compound Name(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
PubChem CID71492013
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one
SMILESCC1=C2C(=O)C[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234
InChIInChI=1S/C14H18O2/c1-8-2-3-9-4-5-12-14(9)10(7-16-12)6-11(15)13(8)14/h9-10,12H,2-7H2,1H3/t9-,10+,12-,14+/m1/s1
InChIKeyGKXZPHVPTJVKOB-JCRCQARHSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The IUPAC name of (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one (CID 71492013) is (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one.
What is the SMILES notation for (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The canonical SMILES for (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one is CC1=C2C(=O)C[C@H]3CO[C@@H]4CC[C@@H](CC1)[C@]234.
What is the InChIKey of (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
The InChIKey is GKXZPHVPTJVKOB-JCRCQARHSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-2-3-9-4-5-12-14(9)10(7-16-12)6-11(15)13(8)14/h9-10,12H,2-7H2,1H3/t9-,10+,12-,14+/m1/s1.
What are the key properties of (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one?
(1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one has a molecular weight of 218.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,11R,14R)-5-methyl-12-oxatetracyclo[6.5.1.04,14.011,14]tetradec-4-en-3-one is sourced from PubChem (CID 71492013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).