[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol

C15H26O — CID 5318701

IUPAC[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol
SMILESC[C@H]1CCC2C(C)(C)[C@H](CO)C3CCC21C3
InChIInChI=1S/C15H26O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h10-13,16H,4-9H2,1-3H3/t10-,11?,12+,13?,15?/m0/s1
InChIKeyKTMJGGMQCFLMFK-KRKIACFUSA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds1

About [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol

[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol (PubChem CID 5318701) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol.

Molecular Properties

Compound Name[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol
PubChem CID5318701
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol
SMILESC[C@H]1CCC2C(C)(C)[C@H](CO)C3CCC21C3
InChIInChI=1S/C15H26O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h10-13,16H,4-9H2,1-3H3/t10-,11?,12+,13?,15?/m0/s1
InChIKeyKTMJGGMQCFLMFK-KRKIACFUSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol?
The IUPAC name of [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol (CID 5318701) is [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol.
What is the SMILES notation for [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol?
The canonical SMILES for [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol is C[C@H]1CCC2C(C)(C)[C@H](CO)C3CCC21C3.
What is the InChIKey of [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol?
The InChIKey is KTMJGGMQCFLMFK-KRKIACFUSA-N. The full InChI is InChI=1S/C15H26O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h10-13,16H,4-9H2,1-3H3/t10-,11?,12+,13?,15?/m0/s1.
What are the key properties of [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol?
[(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol has a molecular weight of 222.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,7R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol is sourced from PubChem (CID 5318701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).