2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol

C16H26O3 — CID 123850062

IUPAC2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
SMILESCC1CC2(C(C)C)OC1C1(C)CCC3(C)OC31C2O
InChIInChI=1S/C16H26O3/c1-9(2)15-8-10(3)11(18-15)13(4)6-7-14(5)16(13,19-14)12(15)17/h9-12,17H,6-8H2,1-5H3
InChIKeyQORUUWZJCINJKR-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.51
Rot. Bonds1

About 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol

2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol (PubChem CID 123850062) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol.

Molecular Properties

Compound Name2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
PubChem CID123850062
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
SMILESCC1CC2(C(C)C)OC1C1(C)CCC3(C)OC31C2O
InChIInChI=1S/C16H26O3/c1-9(2)15-8-10(3)11(18-15)13(4)6-7-14(5)16(13,19-14)12(15)17/h9-12,17H,6-8H2,1-5H3
InChIKeyQORUUWZJCINJKR-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,8-Dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 345471
Daucol
CID 442363
Orientalol E
CID 637282
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 78200744
(1S,2S,5S,7S,8R,9R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
CID 46243246
(2R,5R,7S,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 6432757
(1R,2S,5S,7S,8R,9R)-1,5-dimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
CID 44597031
(1R,2S,5S,8R,9R)-1,5-dimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
CID 134840483
(1S,2S,4R,5R,8R,9S)-5,9-dimethyl-1-propan-2-yl-3,12-dioxatetracyclo[7.2.1.02,4.04,8]dodecan-5-ol
CID 139181295
(7R,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 5316317
(1S,5S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 10445038
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,10-diol
CID 123180095

Frequently Asked Questions

What is the IUPAC name of 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol?
The IUPAC name of 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol (CID 123850062) is 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol.
What is the SMILES notation for 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol?
The canonical SMILES for 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol is CC1CC2(C(C)C)OC1C1(C)CCC3(C)OC31C2O.
What is the InChIKey of 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol?
The InChIKey is QORUUWZJCINJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-9(2)15-8-10(3)11(18-15)13(4)6-7-14(5)16(13,19-14)12(15)17/h9-12,17H,6-8H2,1-5H3.
What are the key properties of 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol?
2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol has a molecular weight of 266.38 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11-trimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol is sourced from PubChem (CID 123850062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).