(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol

C15H28O3 — CID 156581679

IUPAC(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1[C@@H](O)C[C@@](C)(O)[C@H]1C
InChIInChI=1S/C15H28O3/c1-10(2)7-6-8-14(4,17)13-11(3)15(5,18)9-12(13)16/h7,11-13,16-18H,6,8-9H2,1-5H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyPEQRNFISRBKXOW-BTFPBAQTSA-N
MW256.39 g/mol
LogP2.25
Rot. Bonds4

About (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol

(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol (PubChem CID 156581679) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol
PubChem CID156581679
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1[C@@H](O)C[C@@](C)(O)[C@H]1C
InChIInChI=1S/C15H28O3/c1-10(2)7-6-8-14(4,17)13-11(3)15(5,18)9-12(13)16/h7,11-13,16-18H,6,8-9H2,1-5H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyPEQRNFISRBKXOW-BTFPBAQTSA-N
XLogP2.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol (CID 156581679) is (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol is CC(C)=CCC[C@@](C)(O)[C@@H]1[C@@H](O)C[C@@](C)(O)[C@H]1C.
What is the InChIKey of (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol?
The InChIKey is PEQRNFISRBKXOW-BTFPBAQTSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(2)7-6-8-14(4,17)13-11(3)15(5,18)9-12(13)16/h7,11-13,16-18H,6,8-9H2,1-5H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol?
(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol has a molecular weight of 256.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopentane-1,3-diol is sourced from PubChem (CID 156581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).