(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol

C30H62O12 — CID 134974140

IUPAC(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
SMILESCC(C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C30H62O12/c1-25(2,37)19(31)11-15-29(7,41)23(35)13-17-27(5,39)21(33)9-10-22(34)28(6,40)18-14-24(36)30(8,42)16-12-20(32)26(3,4)38/h19-24,31-42H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m1/s1
InChIKeyXGAJABKORPAREO-WYLMOPAYSA-N
MW614.81 g/mol
LogP-0.40
Rot. Bonds21

About (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol

(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol (PubChem CID 134974140) has the molecular formula C30H62O12 and a molecular weight of 614.81 g/mol. Its IUPAC name is (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol.

Molecular Properties

Compound Name(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
PubChem CID134974140
Molecular FormulaC30H62O12
Molecular Weight614.81 g/mol
Exact Mass614.42
IUPAC Name(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
SMILESCC(C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C30H62O12/c1-25(2,37)19(31)11-15-29(7,41)23(35)13-17-27(5,39)21(33)9-10-22(34)28(6,40)18-14-24(36)30(8,42)16-12-20(32)26(3,4)38/h19-24,31-42H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m1/s1
InChIKeyXGAJABKORPAREO-WYLMOPAYSA-N
XLogP-0.40
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500614.81
LogP ≤ 5-0.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol with MolForge

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Related Compounds

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2,2,6,7-tetramethyloctane-3,6-diol
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[(3S,6S,7R,10R,11S,14E,18E)-2,3,6,10,11-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-14,18,22-trien-7-yl] acetate
CID 162904726
2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol
CID 123497948
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
13-methyltetradecane-1,12,13-triol
CID 90439785
16-methylheptadecane-1,15,16-triol
CID 90439756
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
5-ethyl-2-methylheptane-2,3-diol
CID 103449113
S-tert-butyl (5S)-5,6-dihydroxy-6-methylheptanethioate
CID 101362526

Frequently Asked Questions

What is the IUPAC name of (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol?
The IUPAC name of (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol (CID 134974140) is (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol.
What is the SMILES notation for (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol?
The canonical SMILES for (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol is CC(C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@](C)(O)[C@H](O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)[C@](C)(O)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol?
The InChIKey is XGAJABKORPAREO-WYLMOPAYSA-N. The full InChI is InChI=1S/C30H62O12/c1-25(2,37)19(31)11-15-29(7,41)23(35)13-17-27(5,39)21(33)9-10-22(34)28(6,40)18-14-24(36)30(8,42)16-12-20(32)26(3,4)38/h19-24,31-42H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m1/s1.
What are the key properties of (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol?
(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol has a molecular weight of 614.81 g/mol, XLogP of -0.40, 21 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol is sourced from PubChem (CID 134974140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).