(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane

C19H30O — CID 45043700

IUPAC(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane
SMILESCC12CCCC[C@@H]1CCC1C2CCC2(C)CCC3OC312
InChIInChI=1S/C19H30O/c1-17-11-8-14-15(19(17)16(20-19)9-12-17)7-6-13-5-3-4-10-18(13,14)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17?,18?,19?/m1/s1
InChIKeyBUFVYXMPJGYSKJ-MGLLRRBKSA-N
MW274.45 g/mol
LogP4.94
Rot. Bonds

About (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane

(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane (PubChem CID 45043700) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane.

Molecular Properties

Compound Name(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane
PubChem CID45043700
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane
SMILESCC12CCCC[C@@H]1CCC1C2CCC2(C)CCC3OC312
InChIInChI=1S/C19H30O/c1-17-11-8-14-15(19(17)16(20-19)9-12-17)7-6-13-5-3-4-10-18(13,14)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17?,18?,19?/m1/s1
InChIKeyBUFVYXMPJGYSKJ-MGLLRRBKSA-N
XLogP4.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane with MolForge

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Related Compounds

(5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 124896388
(8S,9R,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 57064082
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(1R,2S,5S,13S,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 173088711
(5S,10R,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981610
(8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154342396
(1R,2S,4R,6S,7S,10S,11S)-6-ethyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecane
CID 54026402
(5R,8R,9R,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 11868970
11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
CID 172568187
4a,7,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 176713715
2-[(9S,10S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-1,3-dioxolane
CID 142116104

Frequently Asked Questions

What is the IUPAC name of (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane?
The IUPAC name of (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane (CID 45043700) is (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane.
What is the SMILES notation for (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane?
The canonical SMILES for (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane is CC12CCCC[C@@H]1CCC1C2CCC2(C)CCC3OC312.
What is the InChIKey of (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane?
The InChIKey is BUFVYXMPJGYSKJ-MGLLRRBKSA-N. The full InChI is InChI=1S/C19H30O/c1-17-11-8-14-15(19(17)16(20-19)9-12-17)7-6-13-5-3-4-10-18(13,14)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17?,18?,19?/m1/s1.
What are the key properties of (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane?
(16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane has a molecular weight of 274.45 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 (16R)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane is sourced from PubChem (CID 45043700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).