(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene

C26H36O — CID 11079035

IUPAC(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene
SMILESCC1=C2CCC(OCc3ccccc3)CC/C=C(/C)[C@@H]3CC[C@](C)(CC2)[C@H]13
InChIInChI=1S/C26H36O/c1-19-8-7-11-23(27-18-21-9-5-4-6-10-21)13-12-22-14-16-26(3)17-15-24(19)25(26)20(22)2/h4-6,8-10,23-25H,7,11-18H2,1-3H3/b19-8-/t23?,24-,25+,26-/m0/s1
InChIKeyKLTJGYCQUBKNEC-GPTUNPLPSA-N
MW364.57 g/mol
LogP7.23
Rot. Bonds3

About (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene

(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene (PubChem CID 11079035) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene.

Molecular Properties

Compound Name(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene
PubChem CID11079035
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene
SMILESCC1=C2CCC(OCc3ccccc3)CC/C=C(/C)[C@@H]3CC[C@](C)(CC2)[C@H]13
InChIInChI=1S/C26H36O/c1-19-8-7-11-23(27-18-21-9-5-4-6-10-21)13-12-22-14-16-26(3)17-15-24(19)25(26)20(22)2/h4-6,8-10,23-25H,7,11-18H2,1-3H3/b19-8-/t23?,24-,25+,26-/m0/s1
InChIKeyKLTJGYCQUBKNEC-GPTUNPLPSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene with MolForge

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Related Compounds

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CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene
CID 53131

Frequently Asked Questions

What is the IUPAC name of (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene?
The IUPAC name of (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene (CID 11079035) is (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene.
What is the SMILES notation for (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene?
The canonical SMILES for (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene is CC1=C2CCC(OCc3ccccc3)CC/C=C(/C)[C@@H]3CC[C@](C)(CC2)[C@H]13.
What is the InChIKey of (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene?
The InChIKey is KLTJGYCQUBKNEC-GPTUNPLPSA-N. The full InChI is InChI=1S/C26H36O/c1-19-8-7-11-23(27-18-21-9-5-4-6-10-21)13-12-22-14-16-26(3)17-15-24(19)25(26)20(22)2/h4-6,8-10,23-25H,7,11-18H2,1-3H3/b19-8-/t23?,24-,25+,26-/m0/s1.
What are the key properties of (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene?
(1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene has a molecular weight of 364.57 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,12R,15R)-2,12,16-trimethyl-6-phenylmethoxytricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene is sourced from PubChem (CID 11079035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).