(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene

C18H28O4 — CID 139968513

IUPAC(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
SMILESCOCOCC1=CCCC2(C)C1=CC/C2=C(\C)COCOC
InChIInChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h6,8H,5,7,9-13H2,1-4H3/b16-14-
InChIKeyPEQNVYJNHNNFBX-PEZBUJJGSA-N
MW308.42 g/mol
LogP3.60
Rot. Bonds8

About (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene

(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene (PubChem CID 139968513) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene.

Molecular Properties

Compound Name(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
PubChem CID139968513
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
SMILESCOCOCC1=CCCC2(C)C1=CC/C2=C(\C)COCOC
InChIInChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h6,8H,5,7,9-13H2,1-4H3/b16-14-
InChIKeyPEQNVYJNHNNFBX-PEZBUJJGSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-4-(dimethoxymethyl)-5-methylidenecyclohexa-1,3-diene
CID 23195086
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,4-dihydro-1H-indene
CID 139968509
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
CID 139968517
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968525
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,4-dihydro-1H-indene
CID 139968526
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
CID 139968527
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
CID 139968531
(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene
CID 10424435
(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene
CID 10685223
(8Z)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene
CID 10780146
1-Ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene
CID 11109179
2-Ethoxy-7,7-dimethyl-5-methylidene-2,3,6,7a-tetrahydro-1-benzofuran
CID 101427909

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene?
The IUPAC name of (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene (CID 139968513) is (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene.
What is the SMILES notation for (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene?
The canonical SMILES for (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene is COCOCC1=CCCC2(C)C1=CC/C2=C(\C)COCOC.
What is the InChIKey of (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene?
The InChIKey is PEQNVYJNHNNFBX-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h6,8H,5,7,9-13H2,1-4H3/b16-14-.
What are the key properties of (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene?
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene has a molecular weight of 308.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene is sourced from PubChem (CID 139968513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).