(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one

C19H28O3 — CID 134963084

IUPAC(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@H]2C(O)CC[C@]23C(=O)[C@H](C)C[C@@H]2[C@H](C3C1O)C2(C)C
InChIInChI=1S/C19H28O3/c1-9-7-11-13(20)5-6-19(11)15(16(9)21)14-12(18(14,3)4)8-10(2)17(19)22/h7,10-16,20-21H,5-6,8H2,1-4H3/t10-,11+,12-,13?,14-,15?,16?,19+/m1/s1
InChIKeyCJGHCXPXGIQQMW-ZWHUAHHJSA-N
MW304.43 g/mol
LogP2.56
Rot. Bonds

About (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one

(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one (PubChem CID 134963084) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one.

Molecular Properties

Compound Name(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
PubChem CID134963084
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@H]2C(O)CC[C@]23C(=O)[C@H](C)C[C@@H]2[C@H](C3C1O)C2(C)C
InChIInChI=1S/C19H28O3/c1-9-7-11-13(20)5-6-19(11)15(16(9)21)14-12(18(14,3)4)8-10(2)17(19)22/h7,10-16,20-21H,5-6,8H2,1-4H3/t10-,11+,12-,13?,14-,15?,16?,19+/m1/s1
InChIKeyCJGHCXPXGIQQMW-ZWHUAHHJSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The IUPAC name of (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one (CID 134963084) is (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one.
What is the SMILES notation for (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The canonical SMILES for (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one is CC1=C[C@H]2C(O)CC[C@]23C(=O)[C@H](C)C[C@@H]2[C@H](C3C1O)C2(C)C.
What is the InChIKey of (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The InChIKey is CJGHCXPXGIQQMW-ZWHUAHHJSA-N. The full InChI is InChI=1S/C19H28O3/c1-9-7-11-13(20)5-6-19(11)15(16(9)21)14-12(18(14,3)4)8-10(2)17(19)22/h7,10-16,20-21H,5-6,8H2,1-4H3/t10-,11+,12-,13?,14-,15?,16?,19+/m1/s1.
What are the key properties of (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one has a molecular weight of 304.43 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one is sourced from PubChem (CID 134963084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).