(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one

C19H26O3 — CID 134973471

IUPAC(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one
SMILESCOC=C(C)C1=C(C)C(OC(C)C)=C2C(C)=CC(=O)C[C@]12C
InChIInChI=1S/C19H26O3/c1-11(2)22-18-14(5)16(13(4)10-21-7)19(6)9-15(20)8-12(3)17(18)19/h8,10-11H,9H2,1-7H3/t19-/m1/s1
InChIKeyQFYHHGOIGXCTTL-LJQANCHMSA-N
MW302.41 g/mol
LogP4.47
Rot. Bonds4

About (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one

(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one (PubChem CID 134973471) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one.

Molecular Properties

Compound Name(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one
PubChem CID134973471
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one
SMILESCOC=C(C)C1=C(C)C(OC(C)C)=C2C(C)=CC(=O)C[C@]12C
InChIInChI=1S/C19H26O3/c1-11(2)22-18-14(5)16(13(4)10-21-7)19(6)9-15(20)8-12(3)17(18)19/h8,10-11H,9H2,1-7H3/t19-/m1/s1
InChIKeyQFYHHGOIGXCTTL-LJQANCHMSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3aR)-1-methoxy-2,3a,7-trimethyl-3-propan-2-yl-4H-inden-5-one
CID 134855014
3-tert-butyl-1-methoxy-2,3a,7-trimethyl-4H-inden-5-one
CID 134855042
4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one
CID 10998436
1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one
CID 11110382
4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione
CID 11746865
3-(1-Butoxyvinyl)-5,5-dimethylcyclohex-2-enone
CID 34178725
5,5a,9-Trimethyl-3,4,5a,6-tetrahydroindeno[1,2-b]pyran-7(2H)-one
CID 71446239
2,3-diethyl-1-methoxy-3a,7-dimethyl-4H-inden-5-one
CID 85701964
6,6a,10-Trimethyl-2,3,5,7-tetrahydroindeno[1,2-e][1,4]dioxepin-8-one
CID 102146679
(3aR)-1-methoxy-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-4H-inden-5-one
CID 134855051
(3aR)-1-methoxy-3,3a,7-trimethyl-2-propan-2-yl-4H-inden-5-one
CID 134855066
5,6a,10-Trimethyl-2,3,4,7-tetrahydrobenzo[h]chromene-6,8-dione
CID 134972626

Frequently Asked Questions

What is the IUPAC name of (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one?
The IUPAC name of (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one (CID 134973471) is (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one.
What is the SMILES notation for (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one?
The canonical SMILES for (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one is COC=C(C)C1=C(C)C(OC(C)C)=C2C(C)=CC(=O)C[C@]12C.
What is the InChIKey of (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one?
The InChIKey is QFYHHGOIGXCTTL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26O3/c1-11(2)22-18-14(5)16(13(4)10-21-7)19(6)9-15(20)8-12(3)17(18)19/h8,10-11H,9H2,1-7H3/t19-/m1/s1.
What are the key properties of (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one?
(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one has a molecular weight of 302.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one is sourced from PubChem (CID 134973471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).