(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol

C15H28O2 — CID 162905306

IUPAC(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
SMILESCC(C)[C@H](/C=C/[C@]1(C)CCCO1)CC[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(2)14(7-6-13(3)16)8-10-15(4)9-5-11-17-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3/b10-8+/t13-,14-,15-/m0/s1
InChIKeyYOMJFGRYEWDLQO-XACVDLTFSA-N
MW240.39 g/mol
LogP3.54
Rot. Bonds6

About (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol

(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol (PubChem CID 162905306) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol.

Molecular Properties

Compound Name(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
PubChem CID162905306
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
SMILESCC(C)[C@H](/C=C/[C@]1(C)CCCO1)CC[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(2)14(7-6-13(3)16)8-10-15(4)9-5-11-17-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3/b10-8+/t13-,14-,15-/m0/s1
InChIKeyYOMJFGRYEWDLQO-XACVDLTFSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol?
The IUPAC name of (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol (CID 162905306) is (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol.
What is the SMILES notation for (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol?
The canonical SMILES for (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol is CC(C)[C@H](/C=C/[C@]1(C)CCCO1)CC[C@H](C)O.
What is the InChIKey of (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol?
The InChIKey is YOMJFGRYEWDLQO-XACVDLTFSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)14(7-6-13(3)16)8-10-15(4)9-5-11-17-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3/b10-8+/t13-,14-,15-/m0/s1.
What are the key properties of (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol?
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol has a molecular weight of 240.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol is sourced from PubChem (CID 162905306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).