(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane

C15H24O — CID 146204575

IUPAC(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
SMILESCC(C)C1CC[C@@H](C)[C@@]23CC4O[C@@]4(C)C2C13
InChIInChI=1S/C15H24O/c1-8(2)10-6-5-9(3)15-7-11-14(4,16-11)13(15)12(10)15/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?,14-,15-/m1/s1
InChIKeyANZKDICSPIPWEQ-ZVFQYFCPSA-N
MW220.36 g/mol
LogP3.48
Rot. Bonds1

About (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane

(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane (PubChem CID 146204575) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane.

Molecular Properties

Compound Name(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
PubChem CID146204575
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
SMILESCC(C)C1CC[C@@H](C)[C@@]23CC4O[C@@]4(C)C2C13
InChIInChI=1S/C15H24O/c1-8(2)10-6-5-9(3)15-7-11-14(4,16-11)13(15)12(10)15/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?,14-,15-/m1/s1
InChIKeyANZKDICSPIPWEQ-ZVFQYFCPSA-N
XLogP3.48
TPSA12.53 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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S,8R,11S)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204619
(1R,4S,5R,6R,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
CID 122541122
(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
CID 162922247
(1R,5S,6S,7S,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 102420515
(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 135016246
[4,5-diacetyloxy-6-[(4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl)oxy]oxan-3-yl] acetate
CID 162816900
(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
CID 98154257
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 88565069
(1R,3S,7S,8S,10S,13S)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 168844007
(1R,3S,7R,8R,10R,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 139598020
(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

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane?
The IUPAC name of (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane (CID 146204575) is (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane.
What is the SMILES notation for (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane?
The canonical SMILES for (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane is CC(C)C1CC[C@@H](C)[C@@]23CC4O[C@@]4(C)C2C13.
What is the InChIKey of (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane?
The InChIKey is ANZKDICSPIPWEQ-ZVFQYFCPSA-N. The full InChI is InChI=1S/C15H24O/c1-8(2)10-6-5-9(3)15-7-11-14(4,16-11)13(15)12(10)15/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?,14-,15-/m1/s1.
What are the key properties of (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane?
(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane has a molecular weight of 220.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane is sourced from PubChem (CID 146204575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).