2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid

C17H30O4 — CID 66921109

IUPAC2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid
SMILESCOCC1(CCCC(O)CCCC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C17H30O4/c1-21-13-17(10-11-17)7-3-5-14(18)4-2-6-16(8-9-16)12-15(19)20/h14,18H,2-13H2,1H3,(H,19,20)
InChIKeySBKFBKMLAYRHMX-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.37
Rot. Bonds12

About 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid

2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid (PubChem CID 66921109) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid
PubChem CID66921109
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid
SMILESCOCC1(CCCC(O)CCCC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C17H30O4/c1-21-13-17(10-11-17)7-3-5-14(18)4-2-6-16(8-9-16)12-15(19)20/h14,18H,2-13H2,1H3,(H,19,20)
InChIKeySBKFBKMLAYRHMX-UHFFFAOYSA-N
XLogP3.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bempedoic Acid
CID 10472693
7-Hydroxy-2,2,12,12-tetramethyltridecanedioic acid
CID 10018662
Bempedoic Acid-D5
CID 150503445
8-Deuterio-8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
CID 150503447
Bempedoic Acid-D5
CID 150503445
8-Deuterio-8-hydroxy-2,2,14,14-tetrakis(trideuteriomethyl)pentadecanedioic acid
CID 172456559
CID 163999096
CID 163999096
8-Hydroxy-2,2,4,14-tetramethyl-pentadecanedioic acid
CID 172676285
8-Hydroxy-2,2,4,14-tetramethyl-pentadecanedioic acid
CID 172676285
An alpha-mycolate
CID 91972237
(Z)-cyclopropyl-methoxymycolate
CID 91972282
An alpha-mycolate
CID 91972237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid (CID 66921109) is 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid is COCC1(CCCC(O)CCCC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid?
The InChIKey is SBKFBKMLAYRHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-21-13-17(10-11-17)7-3-5-14(18)4-2-6-16(8-9-16)12-15(19)20/h14,18H,2-13H2,1H3,(H,19,20).
What are the key properties of 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid?
2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid has a molecular weight of 298.42 g/mol, XLogP of 3.37, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid is sourced from PubChem (CID 66921109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).