2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane

C18H30O — CID 539256

IUPAC2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane
SMILESCC1(C)CCCC2(C)C1CCC1(C)C3(C)CCC21O3
InChIInChI=1S/C18H30O/c1-14(2)8-6-9-15(3)13(14)7-10-16(4)17(5)11-12-18(15,16)19-17/h13H,6-12H2,1-5H3
InChIKeyDBZUOZHCPCRRLC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.94
Rot. Bonds

About 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane

2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane (PubChem CID 539256) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane.

Molecular Properties

Compound Name2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane
PubChem CID539256
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane
SMILESCC1(C)CCCC2(C)C1CCC1(C)C3(C)CCC21O3
InChIInChI=1S/C18H30O/c1-14(2)8-6-9-15(3)13(14)7-10-16(4)17(5)11-12-18(15,16)19-17/h13H,6-12H2,1-5H3
InChIKeyDBZUOZHCPCRRLC-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3aR,5aS,9aS,9bR)-9b-fluoro-3a-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
CID 46218502
(3R,4aR,6aS,10aS,10bS)-3-ethenyl-10b-hydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one
CID 14219437
(5,5-dimethyl-1-bicyclo[4.2.0]octanyl)methanethiol
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CID 7002179
2-hydroxy-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
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4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
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CID 134865617
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CID 162895613
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CID 10106081
methyl 5-[(1aS,3aS,7aS,7bR)-1a,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-7b-yl]-3-methylpentanoate
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Frequently Asked Questions

What is the IUPAC name of 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane?
The IUPAC name of 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane (CID 539256) is 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane.
What is the SMILES notation for 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane?
The canonical SMILES for 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane is CC1(C)CCCC2(C)C1CCC1(C)C3(C)CCC21O3.
What is the InChIKey of 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane?
The InChIKey is DBZUOZHCPCRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-14(2)8-6-9-15(3)13(14)7-10-16(4)17(5)11-12-18(15,16)19-17/h13H,6-12H2,1-5H3.
What are the key properties of 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane?
2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane has a molecular weight of 262.44 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane is sourced from PubChem (CID 539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).