(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal

C18H34O3 — CID 11208755

IUPAC(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal
SMILESCC(C=O)C[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C18H34O3/c1-14(10-16(3)12-19)9-15(2)11-17(4)13-21-18-7-5-6-8-20-18/h12,14-18H,5-11,13H2,1-4H3/t14-,15+,16?,17-,18?/m0/s1
InChIKeyFAQDGJBEFYYLAS-MTCSXPRVSA-N
MW298.47 g/mol
LogP4.44
Rot. Bonds10

About (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal

(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal (PubChem CID 11208755) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal.

Molecular Properties

Compound Name(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal
PubChem CID11208755
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal
SMILESCC(C=O)C[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C18H34O3/c1-14(10-16(3)12-19)9-15(2)11-17(4)13-21-18-7-5-6-8-20-18/h12,14-18H,5-11,13H2,1-4H3/t14-,15+,16?,17-,18?/m0/s1
InChIKeyFAQDGJBEFYYLAS-MTCSXPRVSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal?
The IUPAC name of (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal (CID 11208755) is (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal.
What is the SMILES notation for (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal?
The canonical SMILES for (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal is CC(C=O)C[C@@H](C)C[C@@H](C)C[C@H](C)COC1CCCCO1.
What is the InChIKey of (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal?
The InChIKey is FAQDGJBEFYYLAS-MTCSXPRVSA-N. The full InChI is InChI=1S/C18H34O3/c1-14(10-16(3)12-19)9-15(2)11-17(4)13-21-18-7-5-6-8-20-18/h12,14-18H,5-11,13H2,1-4H3/t14-,15+,16?,17-,18?/m0/s1.
What are the key properties of (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal?
(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal has a molecular weight of 298.47 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal is sourced from PubChem (CID 11208755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).