(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol

C21H30O2 — CID 171106701

IUPAC(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol
SMILESC=C1C(C)=CC2C3C(C)CC4C([C@@H]3C=C(CO)C[C@]12O)C4(C)C
InChIInChI=1S/C21H30O2/c1-11-6-16-18-12(2)7-17-19(20(17,4)5)15(18)8-14(10-22)9-21(16,23)13(11)3/h6,8,12,15-19,22-23H,3,7,9-10H2,1-2,4-5H3/t12?,15-,16?,17?,18?,19?,21+/m1/s1
InChIKeySJYBYRDXQUZNTI-LDZDWVEGSA-N
MW314.47 g/mol
LogP3.72
Rot. Bonds1

About (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol

(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol (PubChem CID 171106701) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol.

Molecular Properties

Compound Name(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol
PubChem CID171106701
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol
SMILESC=C1C(C)=CC2C3C(C)CC4C([C@@H]3C=C(CO)C[C@]12O)C4(C)C
InChIInChI=1S/C21H30O2/c1-11-6-16-18-12(2)7-17-19(20(17,4)5)15(18)8-14(10-22)9-21(16,23)13(11)3/h6,8,12,15-19,22-23H,3,7,9-10H2,1-2,4-5H3/t12?,15-,16?,17?,18?,19?,21+/m1/s1
InChIKeySJYBYRDXQUZNTI-LDZDWVEGSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol?
The IUPAC name of (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol (CID 171106701) is (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol.
What is the SMILES notation for (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol?
The canonical SMILES for (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol is C=C1C(C)=CC2C3C(C)CC4C([C@@H]3C=C(CO)C[C@]12O)C4(C)C.
What is the InChIKey of (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol?
The InChIKey is SJYBYRDXQUZNTI-LDZDWVEGSA-N. The full InChI is InChI=1S/C21H30O2/c1-11-6-16-18-12(2)7-17-19(20(17,4)5)15(18)8-14(10-22)9-21(16,23)13(11)3/h6,8,12,15-19,22-23H,3,7,9-10H2,1-2,4-5H3/t12?,15-,16?,17?,18?,19?,21+/m1/s1.
What are the key properties of (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol?
(6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol has a molecular weight of 314.47 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-methylidenetetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-6-ol is sourced from PubChem (CID 171106701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).