acetic acid;decane

C16H34O6 — CID 172853582

IUPACacetic acid;decane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCCC
InChIInChI=1S/C10H22.3C2H4O2/c1-3-5-7-9-10-8-6-4-2;3*1-2(3)4/h3-10H2,1-2H3;3*1H3,(H,3,4)
InChIKeyYJYQDVBFRSVFAD-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.42
Rot. Bonds7

About acetic acid;decane

acetic acid;decane (PubChem CID 172853582) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is acetic acid;decane.

Molecular Properties

Compound Nameacetic acid;decane
PubChem CID172853582
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Nameacetic acid;decane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCCC
InChIInChI=1S/C10H22.3C2H4O2/c1-3-5-7-9-10-8-6-4-2;3*1-2(3)4/h3-10H2,1-2H3;3*1H3,(H,3,4)
InChIKeyYJYQDVBFRSVFAD-UHFFFAOYSA-N
XLogP4.42
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;nonane
CID 174272180
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
acetic acid;dodecane;guanidine;phosphane
CID 175312281
acetic acid;decanoic acid
CID 159015360
CID 162310695
CID 162310695
icosane;oxalic acid
CID 175691290
carbonic acid;bis(hexane)
CID 173367789
but-2-enedioic acid;undecane
CID 157202832
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
acetic acid;(E)-tetradec-7-ene
CID 174697247
heptane;methanol;propan-2-one;hydrate
CID 174653292

Frequently Asked Questions

What is the IUPAC name of acetic acid;decane?
The IUPAC name of acetic acid;decane (CID 172853582) is acetic acid;decane.
What is the SMILES notation for acetic acid;decane?
The canonical SMILES for acetic acid;decane is CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCCC.
What is the InChIKey of acetic acid;decane?
The InChIKey is YJYQDVBFRSVFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.3C2H4O2/c1-3-5-7-9-10-8-6-4-2;3*1-2(3)4/h3-10H2,1-2H3;3*1H3,(H,3,4).
What are the key properties of acetic acid;decane?
acetic acid;decane has a molecular weight of 322.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;decane is sourced from PubChem (CID 172853582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).