(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one

C14H22O2 — CID 24879120

IUPAC(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one
SMILESC=C1CC[C@@H](C(C)C)/C=C/C(=O)CC[C@H]1O
InChIInChI=1S/C14H22O2/c1-10(2)12-5-4-11(3)14(16)9-8-13(15)7-6-12/h6-7,10,12,14,16H,3-5,8-9H2,1-2H3/b7-6+/t12-,14-/m1/s1
InChIKeySXDSHGDZANTXEL-WQYAIIHGSA-N
MW222.33 g/mol
LogP2.88
Rot. Bonds1

About (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one

(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one (PubChem CID 24879120) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one.

Molecular Properties

Compound Name(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one
PubChem CID24879120
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one
SMILESC=C1CC[C@@H](C(C)C)/C=C/C(=O)CC[C@H]1O
InChIInChI=1S/C14H22O2/c1-10(2)12-5-4-11(3)14(16)9-8-13(15)7-6-12/h6-7,10,12,14,16H,3-5,8-9H2,1-2H3/b7-6+/t12-,14-/m1/s1
InChIKeySXDSHGDZANTXEL-WQYAIIHGSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
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 (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one?
The IUPAC name of (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one (CID 24879120) is (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one.
What is the SMILES notation for (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one?
The canonical SMILES for (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one is C=C1CC[C@@H](C(C)C)/C=C/C(=O)CC[C@H]1O.
What is the InChIKey of (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one?
The InChIKey is SXDSHGDZANTXEL-WQYAIIHGSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)12-5-4-11(3)14(16)9-8-13(15)7-6-12/h6-7,10,12,14,16H,3-5,8-9H2,1-2H3/b7-6+/t12-,14-/m1/s1.
What are the key properties of (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one?
(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one is sourced from PubChem (CID 24879120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).