(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene

C18H18O2 — CID 14971118

IUPAC(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene
SMILESCOc1c2c(c(OC)c3c1[C@H]1C=C[C@@H]3C1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C18H18O2/c1-19-17-13-9-3-5-11(7-9)15(13)18(20-2)16-12-6-4-10(8-12)14(16)17/h3-6,9-12H,7-8H2,1-2H3/t9-,10+,11+,12-
InChIKeyGLLVVDNOICLGOF-IWDIQUIJSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds2

About (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene

(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene (PubChem CID 14971118) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene.

Molecular Properties

Compound Name(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene
PubChem CID14971118
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene
SMILESCOc1c2c(c(OC)c3c1[C@H]1C=C[C@@H]3C1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C18H18O2/c1-19-17-13-9-3-5-11(7-9)15(13)18(20-2)16-12-6-4-10(8-12)14(16)17/h3-6,9-12H,7-8H2,1-2H3/t9-,10+,11+,12-
InChIKeyGLLVVDNOICLGOF-IWDIQUIJSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene with MolForge

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Related Compounds

(1R,12R)-3,10-dimethoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene
CID 98153987
(1R,8S)-3,6-dimethoxy-4,5-di(propan-2-yloxy)tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 10860110
(1R,12R)-3,10-dimethoxy-5,8-diphenyltetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,13-hexaene
CID 98164270
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
CID 122393732
(1R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-3,10-diol
CID 58218990
[10-[hydroxy(phenyl)phosphoryl]oxy-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaenyl]oxy-phenylphosphinic acid
CID 102217706
1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene
CID 11987389
(10-hydroxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) 2-methylprop-2-enoate
CID 163406580
trimethyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)silane
CID 71362852
4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
CID 519030
(7-chloro-10-methoxycarbonyloxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) prop-2-enoate
CID 163406806

Frequently Asked Questions

What is the IUPAC name of (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene?
The IUPAC name of (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene (CID 14971118) is (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene.
What is the SMILES notation for (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene?
The canonical SMILES for (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene is COc1c2c(c(OC)c3c1[C@H]1C=C[C@@H]3C1)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene?
The InChIKey is GLLVVDNOICLGOF-IWDIQUIJSA-N. The full InChI is InChI=1S/C18H18O2/c1-19-17-13-9-3-5-11(7-9)15(13)18(20-2)16-12-6-4-10(8-12)14(16)17/h3-6,9-12H,7-8H2,1-2H3/t9-,10+,11+,12-.
What are the key properties of (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene?
(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene has a molecular weight of 266.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene is sourced from PubChem (CID 14971118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).