1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol

C28H54O3 — CID 66961510

IUPAC1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
SMILESCCCCCCCCCCC(O)C1(OC2(C(O)CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-25(29)27(21-22-27)31-28(23-24-28)26(30)20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3
InChIKeyXJAMESCDGSNWEF-UHFFFAOYSA-N
MW438.74 g/mol
LogP7.85
Rot. Bonds22

About 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol

1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol (PubChem CID 66961510) has the molecular formula C28H54O3 and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol.

Molecular Properties

Compound Name1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
PubChem CID66961510
Molecular FormulaC28H54O3
Molecular Weight438.74 g/mol
Exact Mass438.41
IUPAC Name1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
SMILESCCCCCCCCCCC(O)C1(OC2(C(O)CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-25(29)27(21-22-27)31-28(23-24-28)26(30)20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3
InChIKeyXJAMESCDGSNWEF-UHFFFAOYSA-N
XLogP7.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-chlorohexadecan-1-ol
CID 87967130
1-(1-adamantyl)octan-1-ol
CID 63411073

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol?
The IUPAC name of 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol (CID 66961510) is 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol.
What is the SMILES notation for 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol?
The canonical SMILES for 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol is CCCCCCCCCCC(O)C1(OC2(C(O)CCCCCCCCCC)CC2)CC1.
What is the InChIKey of 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol?
The InChIKey is XJAMESCDGSNWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-25(29)27(21-22-27)31-28(23-24-28)26(30)20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3.
What are the key properties of 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol?
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol has a molecular weight of 438.74 g/mol, XLogP of 7.85, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol is sourced from PubChem (CID 66961510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).