1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol

C13H26O — CID 68539484

IUPAC1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
SMILESCCCC(O)[C@]1(C)CC[C@H](C(C)C)C1
InChIInChI=1S/C13H26O/c1-5-6-12(14)13(4)8-7-11(9-13)10(2)3/h10-12,14H,5-9H2,1-4H3/t11-,12?,13+/m0/s1
InChIKeyMUTBBKXINBYRDV-IAMFDIQRSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds4

About 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol

1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol (PubChem CID 68539484) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol.

Molecular Properties

Compound Name1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
PubChem CID68539484
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
SMILESCCCC(O)[C@]1(C)CC[C@H](C(C)C)C1
InChIInChI=1S/C13H26O/c1-5-6-12(14)13(4)8-7-11(9-13)10(2)3/h10-12,14H,5-9H2,1-4H3/t11-,12?,13+/m0/s1
InChIKeyMUTBBKXINBYRDV-IAMFDIQRSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol?
The IUPAC name of 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol (CID 68539484) is 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol.
What is the SMILES notation for 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol?
The canonical SMILES for 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol is CCCC(O)[C@]1(C)CC[C@H](C(C)C)C1.
What is the InChIKey of 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol?
The InChIKey is MUTBBKXINBYRDV-IAMFDIQRSA-N. The full InChI is InChI=1S/C13H26O/c1-5-6-12(14)13(4)8-7-11(9-13)10(2)3/h10-12,14H,5-9H2,1-4H3/t11-,12?,13+/m0/s1.
What are the key properties of 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol?
1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol is sourced from PubChem (CID 68539484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).