10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene

C11H14O — CID 163511436

IUPAC10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene
SMILESCC1CC2CC1C1C3=C(CC21)O3
InChIInChI=1S/C11H14O/c1-5-2-6-3-7(5)10-8(6)4-9-11(10)12-9/h5-8,10H,2-4H2,1H3
InChIKeyDDAPFNKHMYCUTN-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.54
Rot. Bonds

About 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene

10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene (PubChem CID 163511436) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene.

Molecular Properties

Compound Name10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene
PubChem CID163511436
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene
SMILESCC1CC2CC1C1C3=C(CC21)O3
InChIInChI=1S/C11H14O/c1-5-2-6-3-7(5)10-8(6)4-9-11(10)12-9/h5-8,10H,2-4H2,1H3
InChIKeyDDAPFNKHMYCUTN-UHFFFAOYSA-N
XLogP2.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one
CID 135037584
N,6-dimethylbicyclo[3.2.0]heptan-3-amine
CID 129173155
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
8-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decane-3-carbonitrile
CID 88990267
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 166653902
methoxymethane;4-(methoxymethyl)-8-methyltricyclo[5.2.1.02,6]decane
CID 144931262
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene?
The IUPAC name of 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene (CID 163511436) is 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene.
What is the SMILES notation for 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene?
The canonical SMILES for 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene is CC1CC2CC1C1C3=C(CC21)O3.
What is the InChIKey of 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene?
The InChIKey is DDAPFNKHMYCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-5-2-6-3-7(5)10-8(6)4-9-11(10)12-9/h5-8,10H,2-4H2,1H3.
What are the key properties of 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene?
10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene has a molecular weight of 162.23 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene is sourced from PubChem (CID 163511436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).