7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane

C15H24O — CID 101417514

IUPAC7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane
SMILESC=C1CCC2OC3C(C(C)C)CCC2(C)C13
InChIInChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(15)14(11)16-12/h9,11-14H,3,5-8H2,1-2,4H3
InChIKeyXIAAFIUDEVSFJM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane

7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane (PubChem CID 101417514) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane.

Molecular Properties

Compound Name7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane
PubChem CID101417514
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane
SMILESC=C1CCC2OC3C(C(C)C)CCC2(C)C13
InChIInChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(15)14(11)16-12/h9,11-14H,3,5-8H2,1-2,4H3
InChIKeyXIAAFIUDEVSFJM-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
(2S,6S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene;(2S,6S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 165035030
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
[(1S,2S,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]-methylazanide
CID 163138727
(1R,2R,4aS,5S,6S,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2,5-triol
CID 11994819
(3S,3aS,7R,7aR)-7-bromo-3-[(1R)-1-methoxy-2-methylpropyl]-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 101144714
(3R,4R,4aR,8R,8aR)-4,8-bis[(4-methoxyphenyl)methoxy]-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 71475326

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane?
The IUPAC name of 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane (CID 101417514) is 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane.
What is the SMILES notation for 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane?
The canonical SMILES for 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane is C=C1CCC2OC3C(C(C)C)CCC2(C)C13.
What is the InChIKey of 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane?
The InChIKey is XIAAFIUDEVSFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(15)14(11)16-12/h9,11-14H,3,5-8H2,1-2,4H3.
What are the key properties of 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane?
7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-methylidene-4-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undecane is sourced from PubChem (CID 101417514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).