(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol

C16H30O3 — CID 44603746

IUPAC(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol
SMILESC=C(C[C@H](O)[C@](C)(O)[C@H]1CC[C@H](C)[C@H]1CO)C(C)C
InChIInChI=1S/C16H30O3/c1-10(2)12(4)8-15(18)16(5,19)14-7-6-11(3)13(14)9-17/h10-11,13-15,17-19H,4,6-9H2,1-3,5H3/t11-,13+,14-,15-,16+/m0/s1
InChIKeyBAIHJMCGTPKPES-YPUPRDRTSA-N
MW270.41 g/mol
LogP2.36
Rot. Bonds6

About (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol

(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol (PubChem CID 44603746) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol
PubChem CID44603746
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol
SMILESC=C(C[C@H](O)[C@](C)(O)[C@H]1CC[C@H](C)[C@H]1CO)C(C)C
InChIInChI=1S/C16H30O3/c1-10(2)12(4)8-15(18)16(5,19)14-7-6-11(3)13(14)9-17/h10-11,13-15,17-19H,4,6-9H2,1-3,5H3/t11-,13+,14-,15-,16+/m0/s1
InChIKeyBAIHJMCGTPKPES-YPUPRDRTSA-N
XLogP2.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.36
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 (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol?
The IUPAC name of (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol (CID 44603746) is (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol.
What is the SMILES notation for (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol?
The canonical SMILES for (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol is C=C(C[C@H](O)[C@](C)(O)[C@H]1CC[C@H](C)[C@H]1CO)C(C)C.
What is the InChIKey of (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol?
The InChIKey is BAIHJMCGTPKPES-YPUPRDRTSA-N. The full InChI is InChI=1S/C16H30O3/c1-10(2)12(4)8-15(18)16(5,19)14-7-6-11(3)13(14)9-17/h10-11,13-15,17-19H,4,6-9H2,1-3,5H3/t11-,13+,14-,15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol?
(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol has a molecular weight of 270.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol is sourced from PubChem (CID 44603746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).