1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol

C29H55FO — CID 129093057

IUPAC1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol
SMILESCC(CC1CCCCCCC(F)(C(C)C)CCCC1)C1(O)CCCCCCCCCC1
InChIInChI=1S/C29H55FO/c1-25(2)28(30)20-14-11-8-12-18-27(19-13-17-21-28)24-26(3)29(31)22-15-9-6-4-5-7-10-16-23-29/h25-27,31H,4-24H2,1-3H3
InChIKeyOMQWGRVOJOUCNY-UHFFFAOYSA-N
MW438.76 g/mol
LogP9.55
Rot. Bonds4

About 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol

1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol (PubChem CID 129093057) has the molecular formula C29H55FO and a molecular weight of 438.76 g/mol. Its IUPAC name is 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol.

Molecular Properties

Compound Name1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol
PubChem CID129093057
Molecular FormulaC29H55FO
Molecular Weight438.76 g/mol
Exact Mass438.42
IUPAC Name1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol
SMILESCC(CC1CCCCCCC(F)(C(C)C)CCCC1)C1(O)CCCCCCCCCC1
InChIInChI=1S/C29H55FO/c1-25(2)28(30)20-14-11-8-12-18-27(19-13-17-21-28)24-26(3)29(31)22-15-9-6-4-5-7-10-16-23-29/h25-27,31H,4-24H2,1-3H3
InChIKeyOMQWGRVOJOUCNY-UHFFFAOYSA-N
XLogP9.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol 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

1-(2-cyclopentyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448255
1-(2-cyclopropyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448208
2-cyclohexyl-1-(1-methylcyclopentyl)ethanol
CID 115786279
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
CID 116755946
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-(1-aminopropan-2-yl)cyclopentan-1-ol
CID 79127833
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol?
The IUPAC name of 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol (CID 129093057) is 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol.
What is the SMILES notation for 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol?
The canonical SMILES for 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol is CC(CC1CCCCCCC(F)(C(C)C)CCCC1)C1(O)CCCCCCCCCC1.
What is the InChIKey of 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol?
The InChIKey is OMQWGRVOJOUCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55FO/c1-25(2)28(30)20-14-11-8-12-18-27(19-13-17-21-28)24-26(3)29(31)22-15-9-6-4-5-7-10-16-23-29/h25-27,31H,4-24H2,1-3H3.
What are the key properties of 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol?
1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol has a molecular weight of 438.76 g/mol, XLogP of 9.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-6-propan-2-ylcyclododecyl)propan-2-yl]cycloundecan-1-ol is sourced from PubChem (CID 129093057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).