(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane

C20H32O2 — CID 11822870

IUPAC(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@]34O[C@]3(C)C[C@@H]3O[C@@]34[C@@H](C)CC[C@@H]12
InChIInChI=1S/C20H32O2/c1-12(2)14-8-9-17(4)11-19-18(5,22-19)10-16-20(19,21-16)13(3)6-7-15(14)17/h12-16H,6-11H2,1-5H3/t13-,14+,15-,16-,17+,18+,19+,20-/m0/s1
InChIKeyIVJBQLORQCAWPC-VKCHCZRYSA-N
MW304.47 g/mol
LogP4.56
Rot. Bonds1

About (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane

(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane (PubChem CID 11822870) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane.

Molecular Properties

Compound Name(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane
PubChem CID11822870
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@]34O[C@]3(C)C[C@@H]3O[C@@]34[C@@H](C)CC[C@@H]12
InChIInChI=1S/C20H32O2/c1-12(2)14-8-9-17(4)11-19-18(5,22-19)10-16-20(19,21-16)13(3)6-7-15(14)17/h12-16H,6-11H2,1-5H3/t13-,14+,15-,16-,17+,18+,19+,20-/m0/s1
InChIKeyIVJBQLORQCAWPC-VKCHCZRYSA-N
XLogP4.56
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane with MolForge

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Related Compounds

(1S,3R,6S,7S,10R,11S,14R)-3,10,14-trimethyl-6-propan-2-yl-15-oxatetracyclo[9.3.1.01,11.03,7]pentadecan-13-one
CID 162922719
(1S,7S,8R,11R,12S)-7-hydroxy-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-3-en-5-one
CID 135022027
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),11-diene
CID 14379068
(2R,3S,6R,7R,10R,13S,16S,17R)-2,6,10,13-tetramethyl-16-propan-2-ylpentacyclo[9.7.0.02,7.03,7.013,17]octadec-1(11)-ene
CID 163358943
(1R,2S,5S,6R,9R,11R,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadecan-10-one
CID 95565368
(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204575
(1S,5S,8R,11S)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204619
(1R,4R,8S,11S,12R)-4-hydroxy-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-3(7)-en-6-one
CID 52951744
1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
CID 74051960
1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 140846235

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane?
The IUPAC name of (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane (CID 11822870) is (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane.
What is the SMILES notation for (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane?
The canonical SMILES for (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane is CC(C)[C@H]1CC[C@]2(C)C[C@@]34O[C@]3(C)C[C@@H]3O[C@@]34[C@@H](C)CC[C@@H]12.
What is the InChIKey of (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane?
The InChIKey is IVJBQLORQCAWPC-VKCHCZRYSA-N. The full InChI is InChI=1S/C20H32O2/c1-12(2)14-8-9-17(4)11-19-18(5,22-19)10-16-20(19,21-16)13(3)6-7-15(14)17/h12-16H,6-11H2,1-5H3/t13-,14+,15-,16-,17+,18+,19+,20-/m0/s1.
What are the key properties of (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane?
(1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane has a molecular weight of 304.47 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7S,10S,11S,13S,15R)-3,10,15-trimethyl-6-propan-2-yl-12,16-dioxapentacyclo[9.5.0.01,15.03,7.011,13]hexadecane is sourced from PubChem (CID 11822870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).