5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde

C18H26O2 — CID 14829894

IUPAC5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H]1CC1(COC)C=CC=C1C=O
InChIInChI=1S/C18H26O2/c1-13(2)16-8-7-14(3)17(16)10-18(12-20-4)9-5-6-15(18)11-19/h5-6,9,11,14,16-17H,1,7-8,10,12H2,2-4H3/t14-,16+,17-,18?/m1/s1
InChIKeyAQVASNAQPBYZNF-JSWLAIEMSA-N
MW274.40 g/mol
LogP3.94
Rot. Bonds6

About 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde

5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 14829894) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde
PubChem CID14829894
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H]1CC1(COC)C=CC=C1C=O
InChIInChI=1S/C18H26O2/c1-13(2)16-8-7-14(3)17(16)10-18(12-20-4)9-5-6-15(18)11-19/h5-6,9,11,14,16-17H,1,7-8,10,12H2,2-4H3/t14-,16+,17-,18?/m1/s1
InChIKeyAQVASNAQPBYZNF-JSWLAIEMSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde (CID 14829894) is 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde is C=C(C)[C@@H]1CC[C@@H](C)[C@H]1CC1(COC)C=CC=C1C=O.
What is the InChIKey of 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is AQVASNAQPBYZNF-JSWLAIEMSA-N. The full InChI is InChI=1S/C18H26O2/c1-13(2)16-8-7-14(3)17(16)10-18(12-20-4)9-5-6-15(18)11-19/h5-6,9,11,14,16-17H,1,7-8,10,12H2,2-4H3/t14-,16+,17-,18?/m1/s1.
What are the key properties of 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde?
5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 274.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]cyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 14829894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).