1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane

C20H32O — CID 73084164

IUPAC1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane
SMILESC=C1CC2OC(C)(C)C3CCC(C)(CC4C(C)CCC14)C23
InChIInChI=1S/C20H32O/c1-12-6-7-14-13(2)10-17-18-16(19(3,4)21-17)8-9-20(18,5)11-15(12)14/h12,14-18H,2,6-11H2,1,3-5H3
InChIKeyPODKCDPRHXSRRA-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.21
Rot. Bonds

About 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane

1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane (PubChem CID 73084164) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane.

Molecular Properties

Compound Name1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane
PubChem CID73084164
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane
SMILESC=C1CC2OC(C)(C)C3CCC(C)(CC4C(C)CCC14)C23
InChIInChI=1S/C20H32O/c1-12-6-7-14-13(2)10-17-18-16(19(3,4)21-17)8-9-20(18,5)11-15(12)14/h12,14-18H,2,6-11H2,1,3-5H3
InChIKeyPODKCDPRHXSRRA-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
CID 22297710
(1R,2R,6S,7R,8S,11S,12S,14R)-6,14-dimethyl-9-methylidene-13-oxapentacyclo[9.3.2.16,8.02,7.012,14]heptadecane
CID 163073662
(1R,3S,8S,9R,11R,14R)-3,14-dimethyl-10-methylidene-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-6-ene-8,9-diol
CID 166445979
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
1,4-dimethyltricyclo[3.2.1.03,8]octane
CID 163690199
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
(8,11-dimethyl-4-methylidene-14-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.05,9]pentadecan-2-yl) benzoate
CID 571031
(3aR,5S,5aR,8S,8aS,9aR)-8,8a-dihydroxy-5,8-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 163023391
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 91746456
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 15775267
(1aR,4aR,7R,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 123134812
(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
CID 162912305

Frequently Asked Questions

What is the IUPAC name of 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane?
The IUPAC name of 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane (CID 73084164) is 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane.
What is the SMILES notation for 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane?
The canonical SMILES for 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane is C=C1CC2OC(C)(C)C3CCC(C)(CC4C(C)CCC14)C23.
What is the InChIKey of 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane?
The InChIKey is PODKCDPRHXSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-12-6-7-14-13(2)10-17-18-16(19(3,4)21-17)8-9-20(18,5)11-15(12)14/h12,14-18H,2,6-11H2,1,3-5H3.
What are the key properties of 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane?
1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane has a molecular weight of 288.48 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane is sourced from PubChem (CID 73084164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).