trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol

C14H24O3 — CID 143214834

IUPACtrans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol
SMILESCCCCCC(O)C=C=CC1C[C@@H](O)C[C@H]1O
InChIInChI=1S/C14H24O3/c1-2-3-4-7-12(15)8-5-6-11-9-13(16)10-14(11)17/h6,8,11-17H,2-4,7,9-10H2,1H3/t5?,11?,12?,13-,14-/m1/s1
InChIKeyMUZAWQRCKBRJKL-ZXEGMYEHSA-N
MW240.34 g/mol
LogP1.77
Rot. Bonds6

About trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol

trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol (PubChem CID 143214834) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol
PubChem CID143214834
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametrans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol
SMILESCCCCCC(O)C=C=CC1C[C@@H](O)C[C@H]1O
InChIInChI=1S/C14H24O3/c1-2-3-4-7-12(15)8-5-6-11-9-13(16)10-14(11)17/h6,8,11-17H,2-4,7,9-10H2,1H3/t5?,11?,12?,13-,14-/m1/s1
InChIKeyMUZAWQRCKBRJKL-ZXEGMYEHSA-N
XLogP1.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol?
The IUPAC name of trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol (CID 143214834) is trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol is CCCCCC(O)C=C=CC1C[C@@H](O)C[C@H]1O.
What is the InChIKey of trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol?
The InChIKey is MUZAWQRCKBRJKL-ZXEGMYEHSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-7-12(15)8-5-6-11-9-13(16)10-14(11)17/h6,8,11-17H,2-4,7,9-10H2,1H3/t5?,11?,12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol?
trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol has a molecular weight of 240.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-4-(4-hydroxynona-1,2-dienyl)cyclopentane-1,3-diol is sourced from PubChem (CID 143214834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).