(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol

C15H26O2 — CID 163190020

IUPAC(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
SMILESC=C1C[C@@H](O)/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-10(2)14-6-5-11(3)7-13(16)8-12(4)9-15(14)17/h7,10,13-17H,4-6,8-9H2,1-3H3/b11-7+/t13-,14-,15-/m0/s1
InChIKeyAQEMBMAEIOQGCX-NQDLHCNUSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds1

About (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol

(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol (PubChem CID 163190020) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol.

Molecular Properties

Compound Name(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
PubChem CID163190020
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
SMILESC=C1C[C@@H](O)/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-10(2)14-6-5-11(3)7-13(16)8-12(4)9-15(14)17/h7,10,13-17H,4-6,8-9H2,1-3H3/b11-7+/t13-,14-,15-/m0/s1
InChIKeyAQEMBMAEIOQGCX-NQDLHCNUSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol?
The IUPAC name of (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol (CID 163190020) is (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol.
What is the SMILES notation for (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol?
The canonical SMILES for (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol is C=C1C[C@@H](O)/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)C1.
What is the InChIKey of (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol?
The InChIKey is AQEMBMAEIOQGCX-NQDLHCNUSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)14-6-5-11(3)7-13(16)8-12(4)9-15(14)17/h7,10,13-17H,4-6,8-9H2,1-3H3/b11-7+/t13-,14-,15-/m0/s1.
What are the key properties of (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol?
(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol is sourced from PubChem (CID 163190020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).