5-methoxycyclopentadecane-1-carbaldehyde

C17H32O2 — CID 130421288

IUPAC5-methoxycyclopentadecane-1-carbaldehyde
SMILESCOC1CCCCCCCCCCC(C=O)CCC1
InChIInChI=1S/C17H32O2/c1-19-17-13-9-7-5-3-2-4-6-8-11-16(15-18)12-10-14-17/h15-17H,2-14H2,1H3
InChIKeyDTGIIMNNRYYAAJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.90
Rot. Bonds2

About 5-methoxycyclopentadecane-1-carbaldehyde

5-methoxycyclopentadecane-1-carbaldehyde (PubChem CID 130421288) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-methoxycyclopentadecane-1-carbaldehyde.

Molecular Properties

Compound Name5-methoxycyclopentadecane-1-carbaldehyde
PubChem CID130421288
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name5-methoxycyclopentadecane-1-carbaldehyde
SMILESCOC1CCCCCCCCCCC(C=O)CCC1
InChIInChI=1S/C17H32O2/c1-19-17-13-9-7-5-3-2-4-6-8-11-16(15-18)12-10-14-17/h15-17H,2-14H2,1H3
InChIKeyDTGIIMNNRYYAAJ-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclopentadecane-1-carbaldehyde?
The IUPAC name of 5-methoxycyclopentadecane-1-carbaldehyde (CID 130421288) is 5-methoxycyclopentadecane-1-carbaldehyde.
What is the SMILES notation for 5-methoxycyclopentadecane-1-carbaldehyde?
The canonical SMILES for 5-methoxycyclopentadecane-1-carbaldehyde is COC1CCCCCCCCCCC(C=O)CCC1.
What is the InChIKey of 5-methoxycyclopentadecane-1-carbaldehyde?
The InChIKey is DTGIIMNNRYYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-19-17-13-9-7-5-3-2-4-6-8-11-16(15-18)12-10-14-17/h15-17H,2-14H2,1H3.
What are the key properties of 5-methoxycyclopentadecane-1-carbaldehyde?
5-methoxycyclopentadecane-1-carbaldehyde has a molecular weight of 268.44 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclopentadecane-1-carbaldehyde is sourced from PubChem (CID 130421288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).