2-(4-hydroxyoxepan-4-yl)acetic acid

C8H14O4 — CID 65081306

IUPAC2-(4-hydroxyoxepan-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCCOCC1
InChIInChI=1S/C8H14O4/c9-7(10)6-8(11)2-1-4-12-5-3-8/h11H,1-6H2,(H,9,10)
InChIKeyCIAQKIZBVRJECT-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.39
Rot. Bonds2

About 2-(4-hydroxyoxepan-4-yl)acetic acid

2-(4-hydroxyoxepan-4-yl)acetic acid (PubChem CID 65081306) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(4-hydroxyoxepan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyoxepan-4-yl)acetic acid
PubChem CID65081306
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(4-hydroxyoxepan-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCCOCC1
InChIInChI=1S/C8H14O4/c9-7(10)6-8(11)2-1-4-12-5-3-8/h11H,1-6H2,(H,9,10)
InChIKeyCIAQKIZBVRJECT-UHFFFAOYSA-N
XLogP0.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66037412
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
4-but-3-ynyloxepan-4-ol
CID 65078866
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
2-(3-aminooxan-3-yl)acetic acid
CID 64666864
2-(4-hydroxy-1,1-dioxothiepan-4-yl)acetic acid
CID 115033307
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
N,N-diethyl-2-(4-hydroxyoxan-4-yl)acetamide
CID 174157635
2-[(4-hydroxyoxan-4-yl)methylsulfinyl]acetic acid
CID 15312148
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxepan-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxyoxepan-4-yl)acetic acid (CID 65081306) is 2-(4-hydroxyoxepan-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxyoxepan-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxyoxepan-4-yl)acetic acid is O=C(O)CC1(O)CCCOCC1.
What is the InChIKey of 2-(4-hydroxyoxepan-4-yl)acetic acid?
The InChIKey is CIAQKIZBVRJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-7(10)6-8(11)2-1-4-12-5-3-8/h11H,1-6H2,(H,9,10).
What are the key properties of 2-(4-hydroxyoxepan-4-yl)acetic acid?
2-(4-hydroxyoxepan-4-yl)acetic acid has a molecular weight of 174.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxepan-4-yl)acetic acid is sourced from PubChem (CID 65081306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).