(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one

C13H18O2 — CID 135017767

IUPAC(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one
SMILESC=C1CC23CC[C@H](O)C[C@H]2C(=O)CC1C3
InChIInChI=1S/C13H18O2/c1-8-6-13-3-2-10(14)5-11(13)12(15)4-9(8)7-13/h9-11,14H,1-7H2/t9?,10-,11-,13?/m0/s1
InChIKeyAAZLDTYDNKRFEP-ZRZGDYATSA-N
MW206.28 g/mol
LogP2.07
Rot. Bonds

About (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one

(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one (PubChem CID 135017767) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one.

Molecular Properties

Compound Name(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one
PubChem CID135017767
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one
SMILESC=C1CC23CC[C@H](O)C[C@H]2C(=O)CC1C3
InChIInChI=1S/C13H18O2/c1-8-6-13-3-2-10(14)5-11(13)12(15)4-9(8)7-13/h9-11,14H,1-7H2/t9?,10-,11-,13?/m0/s1
InChIKeyAAZLDTYDNKRFEP-ZRZGDYATSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one?
The IUPAC name of (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one (CID 135017767) is (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one.
What is the SMILES notation for (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one?
The canonical SMILES for (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one is C=C1CC23CC[C@H](O)C[C@H]2C(=O)CC1C3.
What is the InChIKey of (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one?
The InChIKey is AAZLDTYDNKRFEP-ZRZGDYATSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-6-13-3-2-10(14)5-11(13)12(15)4-9(8)7-13/h9-11,14H,1-7H2/t9?,10-,11-,13?/m0/s1.
What are the key properties of (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one?
(4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one has a molecular weight of 206.28 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodecan-7-one is sourced from PubChem (CID 135017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).