(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol

C15H24O2 — CID 10847436

IUPAC(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol
SMILESC=CC1=C(/C(=C\C)CO)[C@@](C)(CO)CC1(C)C
InChIInChI=1S/C15H24O2/c1-6-11(8-16)13-12(7-2)14(3,4)9-15(13,5)10-17/h6-7,16-17H,2,8-10H2,1,3-5H3/b11-6-/t15-/m1/s1
InChIKeyBHNACKMCMDASDB-UJNBGNEJSA-N
MW236.35 g/mol
LogP2.84
Rot. Bonds4

About (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol

(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol (PubChem CID 10847436) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol
PubChem CID10847436
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol
SMILESC=CC1=C(/C(=C\C)CO)[C@@](C)(CO)CC1(C)C
InChIInChI=1S/C15H24O2/c1-6-11(8-16)13-12(7-2)14(3,4)9-15(13,5)10-17/h6-7,16-17H,2,8-10H2,1,3-5H3/b11-6-/t15-/m1/s1
InChIKeyBHNACKMCMDASDB-UJNBGNEJSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol?
The IUPAC name of (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol (CID 10847436) is (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol?
The canonical SMILES for (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol is C=CC1=C(/C(=C\C)CO)[C@@](C)(CO)CC1(C)C.
What is the InChIKey of (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol?
The InChIKey is BHNACKMCMDASDB-UJNBGNEJSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-11(8-16)13-12(7-2)14(3,4)9-15(13,5)10-17/h6-7,16-17H,2,8-10H2,1,3-5H3/b11-6-/t15-/m1/s1.
What are the key properties of (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol?
(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol is sourced from PubChem (CID 10847436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).