(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione

C18H24O3 — CID 11781200

IUPAC(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione
SMILESCOC1=CC(=O)C[C@@]2(C)[C@H]1CC[C@H]1CC3C[C@]12CCC3=O
InChIInChI=1S/C18H24O3/c1-17-10-13(19)8-16(21-2)14(17)4-3-12-7-11-9-18(12,17)6-5-15(11)20/h8,11-12,14H,3-7,9-10H2,1-2H3/t11?,12-,14-,17-,18+/m0/s1
InChIKeyONMIZPLUCNWPJK-NYAQFSEWSA-N
MW288.39 g/mol
LogP3.28
Rot. Bonds1

About (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione

(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione (PubChem CID 11781200) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione.

Molecular Properties

Compound Name(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione
PubChem CID11781200
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione
SMILESCOC1=CC(=O)C[C@@]2(C)[C@H]1CC[C@H]1CC3C[C@]12CCC3=O
InChIInChI=1S/C18H24O3/c1-17-10-13(19)8-16(21-2)14(17)4-3-12-7-11-9-18(12,17)6-5-15(11)20/h8,11-12,14H,3-7,9-10H2,1-2H3/t11?,12-,14-,17-,18+/m0/s1
InChIKeyONMIZPLUCNWPJK-NYAQFSEWSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione with MolForge

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Related Compounds

(1R,2S,7R,10S)-2-methyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,6,13-trione
CID 11054878
4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 72828494
2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
CID 74318302
tricyclo[6.3.1.01,6]dodecan-9-one
CID 130036870
(1S,2S,7S,10S,12R)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadec-13-ene
CID 15907362
(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one
CID 46703697
3-methoxy-4-methylcyclopent-2-en-1-one
CID 574103
7-methoxy-5,5-dimethyl-3,4,4a,6,10,10a-hexahydroanthracen-2-one
CID 100952888
(4aS,7R,8aR)-7-methoxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 10584052
methyl 4-oxobicyclo[3.2.1]octane-1-carboxylate
CID 12729447
(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
CID 70976594
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione?
The IUPAC name of (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione (CID 11781200) is (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione.
What is the SMILES notation for (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione?
The canonical SMILES for (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione is COC1=CC(=O)C[C@@]2(C)[C@H]1CC[C@H]1CC3C[C@]12CCC3=O.
What is the InChIKey of (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione?
The InChIKey is ONMIZPLUCNWPJK-NYAQFSEWSA-N. The full InChI is InChI=1S/C18H24O3/c1-17-10-13(19)8-16(21-2)14(17)4-3-12-7-11-9-18(12,17)6-5-15(11)20/h8,11-12,14H,3-7,9-10H2,1-2H3/t11?,12-,14-,17-,18+/m0/s1.
What are the key properties of (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione?
(1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione has a molecular weight of 288.39 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,10S)-6-methoxy-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-ene-4,13-dione is sourced from PubChem (CID 11781200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).