(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane

C19H36O — CID 130439180

IUPAC(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
SMILESCC(C)(C)CC1CCC(CC(C)(C)C[C@H]2CCCO2)C1
InChIInChI=1S/C19H36O/c1-18(2,3)12-15-8-9-16(11-15)13-19(4,5)14-17-7-6-10-20-17/h15-17H,6-14H2,1-5H3/t15?,16?,17-/m1/s1
InChIKeyKKTCCOFWSBKKDH-OFLPRAFFSA-N
MW280.50 g/mol
LogP5.82
Rot. Bonds5

About (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane

(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane (PubChem CID 130439180) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
PubChem CID130439180
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
SMILESCC(C)(C)CC1CCC(CC(C)(C)C[C@H]2CCCO2)C1
InChIInChI=1S/C19H36O/c1-18(2,3)12-15-8-9-16(11-15)13-19(4,5)14-17-7-6-10-20-17/h15-17H,6-14H2,1-5H3/t15?,16?,17-/m1/s1
InChIKeyKKTCCOFWSBKKDH-OFLPRAFFSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2-(cyclopropylmethyl)oxolane
CID 57067840
2-[2-(bromomethyl)-2-methylbutyl]oxolane
CID 66050711
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
CID 102639762

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane?
The IUPAC name of (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane (CID 130439180) is (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane.
What is the SMILES notation for (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane?
The canonical SMILES for (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane is CC(C)(C)CC1CCC(CC(C)(C)C[C@H]2CCCO2)C1.
What is the InChIKey of (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane?
The InChIKey is KKTCCOFWSBKKDH-OFLPRAFFSA-N. The full InChI is InChI=1S/C19H36O/c1-18(2,3)12-15-8-9-16(11-15)13-19(4,5)14-17-7-6-10-20-17/h15-17H,6-14H2,1-5H3/t15?,16?,17-/m1/s1.
What are the key properties of (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane?
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane has a molecular weight of 280.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane is sourced from PubChem (CID 130439180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).