(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol

C15H26O2 — CID 177427018

IUPAC(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
SMILESC=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CCC1O
InChIInChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14?,15-/m1/s1
InChIKeyNSIOXFVMCTYIOU-YFUDFRFGSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds1

About (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol

(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol (PubChem CID 177427018) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol.

Molecular Properties

Compound Name(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
PubChem CID177427018
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
SMILESC=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CCC1O
InChIInChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14?,15-/m1/s1
InChIKeyNSIOXFVMCTYIOU-YFUDFRFGSA-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 (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol?
The IUPAC name of (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol (CID 177427018) is (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol.
What is the SMILES notation for (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol?
The canonical SMILES for (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol is C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CCC1O.
What is the InChIKey of (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol?
The InChIKey is NSIOXFVMCTYIOU-YFUDFRFGSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14?,15-/m1/s1.
What are the key properties of (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol?
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-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 (4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol is sourced from PubChem (CID 177427018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).