(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol

C15H26O3 — CID 146683365

IUPAC(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol
SMILESC/C(=C/C(O)C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1)CO
InChIInChI=1S/C15H26O3/c1-11(10-16)8-14(17)9-12(2)13-4-6-15(3,18)7-5-13/h4,6,8,12-14,16-18H,5,7,9-10H2,1-3H3/b11-8-/t12-,13+,14?,15+/m1/s1
InChIKeyMTNSZYGCSBZUGD-KDUVGBSDSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds5

About (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol

(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol (PubChem CID 146683365) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol
PubChem CID146683365
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol
SMILESC/C(=C/C(O)C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1)CO
InChIInChI=1S/C15H26O3/c1-11(10-16)8-14(17)9-12(2)13-4-6-15(3,18)7-5-13/h4,6,8,12-14,16-18H,5,7,9-10H2,1-3H3/b11-8-/t12-,13+,14?,15+/m1/s1
InChIKeyMTNSZYGCSBZUGD-KDUVGBSDSA-N
XLogP2.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol?
The IUPAC name of (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol (CID 146683365) is (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol.
What is the SMILES notation for (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol?
The canonical SMILES for (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol is C/C(=C/C(O)C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1)CO.
What is the InChIKey of (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol?
The InChIKey is MTNSZYGCSBZUGD-KDUVGBSDSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(10-16)8-14(17)9-12(2)13-4-6-15(3,18)7-5-13/h4,6,8,12-14,16-18H,5,7,9-10H2,1-3H3/b11-8-/t12-,13+,14?,15+/m1/s1.
What are the key properties of (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol?
(Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol has a molecular weight of 254.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol is sourced from PubChem (CID 146683365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).