(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol

C15H24O — CID 91751112

IUPAC(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol
SMILESC=C1CC[C@@]23C[C@]1(O)C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C15H24O/c1-10-5-6-12-13(3,4)15(16)9-14(10,12)8-7-11(15)2/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12+,14+,15-/m1/s1
InChIKeyFKYXGZAFJJTWJA-UEEZHKSASA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol

(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol (PubChem CID 91751112) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol.

Molecular Properties

Compound Name(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol
PubChem CID91751112
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol
SMILESC=C1CC[C@@]23C[C@]1(O)C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C15H24O/c1-10-5-6-12-13(3,4)15(16)9-14(10,12)8-7-11(15)2/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12+,14+,15-/m1/s1
InChIKeyFKYXGZAFJJTWJA-UEEZHKSASA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol?
The IUPAC name of (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol (CID 91751112) is (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol.
What is the SMILES notation for (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol?
The canonical SMILES for (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol is C=C1CC[C@@]23C[C@]1(O)C(C)(C)[C@@H]2CC[C@H]3C.
What is the InChIKey of (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol?
The InChIKey is FKYXGZAFJJTWJA-UEEZHKSASA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-12-13(3,4)15(16)9-14(10,12)8-7-11(15)2/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12+,14+,15-/m1/s1.
What are the key properties of (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol?
(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol is sourced from PubChem (CID 91751112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).