(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol

C18H32O2 — CID 146386340

IUPAC(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol
SMILESC[C@H](CO)OC12CCCC(C)(CCC3C1CC3(C)C)C2
InChIInChI=1S/C18H32O2/c1-13(11-19)20-18-8-5-7-17(4,12-18)9-6-14-15(18)10-16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15?,17?,18?/m1/s1
InChIKeyIKMOIWCIAKRKNS-JUOYRWJOSA-N
MW280.45 g/mol
LogP4.16
Rot. Bonds3

About (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol

(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol (PubChem CID 146386340) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol
PubChem CID146386340
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol
SMILESC[C@H](CO)OC12CCCC(C)(CCC3C1CC3(C)C)C2
InChIInChI=1S/C18H32O2/c1-13(11-19)20-18-8-5-7-17(4,12-18)9-6-14-15(18)10-16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15?,17?,18?/m1/s1
InChIKeyIKMOIWCIAKRKNS-JUOYRWJOSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol?
The IUPAC name of (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol (CID 146386340) is (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol?
The canonical SMILES for (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol is C[C@H](CO)OC12CCCC(C)(CCC3C1CC3(C)C)C2.
What is the InChIKey of (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol?
The InChIKey is IKMOIWCIAKRKNS-JUOYRWJOSA-N. The full InChI is InChI=1S/C18H32O2/c1-13(11-19)20-18-8-5-7-17(4,12-18)9-6-14-15(18)10-16(14,2)3/h13-15,19H,5-12H2,1-4H3/t13-,14?,15?,17?,18?/m1/s1.
What are the key properties of (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol?
(2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol has a molecular weight of 280.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl)oxy]propan-1-ol is sourced from PubChem (CID 146386340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).